data_19368 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19368 _Entry.Title ; Structure of Pex14 in complex with Pex5 LVxEF motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-16 _Entry.Accession_date 2013-07-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hamed Kooshapur . . . 19368 2 H. Meyer . . . 19368 3 T. Madl . . . 19368 4 M. Sattler . . . 19368 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19368 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . KooshapurGroup . 19368 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 19368 peroxisome . 19368 pex . 19368 pex14 . 19368 pex5 . 19368 'protein complex' . 19368 'protein transport' . 19368 translocation . 19368 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19368 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 19368 '15N chemical shifts' 124 19368 '1H chemical shifts' 847 19368 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-03 2013-07-16 update BMRB 'update entry citation' 19368 1 . . 2013-11-26 2013-07-16 original author 'original release' 19368 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4bxu 'Structure of Pex14 in complex with Pex5 LVxEF motif' 19368 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19368 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24235149 _Citation.Full_citation . _Citation.Title 'A Novel Pex14 Protein-interacting Site of Human Pex5 Is Critical for Matrix Protein Import into Peroxisomes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 437 _Citation.Page_last 448 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Neuhaus . . . 19368 1 2 Hamed Kooshapur . . . 19368 1 3 Janina Wolf . . . 19368 1 4 'N. Helge' Meyer . . . 19368 1 5 Tobias Madl . . . 19368 1 6 Jurgen Saidowsky . . . 19368 1 7 Eva Hambruch . . . 19368 1 8 Anissa Lazam . . . 19368 1 9 Martin Jung . . . 19368 1 10 Michael Sattler . . . 19368 1 11 Wolfgang Schliebs . . . 19368 1 12 Ralf Erdmann . . . 19368 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19368 _Assembly.ID 1 _Assembly.Name 'Structure of Pex14 in complex with Pex5 LVxEF motif' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 9147.1679 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PEROXISOMAL MEMBRANE PROTEIN PEX14' 1 $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 A . yes native no no . . 'RESIDUES 12-15 (GAMA) OF PEX14 ORIGINATE FRO EXPRESSION VECTOR' 19368 1 2 'PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR' 2 $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR B . yes native no no . . . 19368 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 _Entity.Sf_category entity _Entity.Sf_framecode PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 _Entity.Entry_ID 19368 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMATPGSENVLPREPLIAT AVKFLQNSRVRQSPLATRRA FLKKKGLTDEEIDMAFQQSG TAADEPSSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RESIDUES 16-80' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7445.4517 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'RESIDUES 12-15 (GAMA) OF PEX14 ORIGINATE FRO EXPRESSION VECTOR' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP PEX14_HUMAN . O75381 . . . . . . . . . . . . . . 19368 1 2 no PDB 2W84 . "Structure Of Pex14 In Complex With Pex5" . . . . . 100.00 70 100.00 100.00 9.27e-41 . . . . 19368 1 3 no PDB 2W85 . "Structure Of Pex14 In Complex With Pex19" . . . . . 100.00 70 100.00 100.00 9.27e-41 . . . . 19368 1 4 no PDB 3FF5 . "Crystal Structure Of The Conserved N-Terminal Domain Of The Peroxisomal Matrix-Protein-Import Receptor, Pex14p" . . . . . 66.67 54 97.83 100.00 3.70e-22 . . . . 19368 1 5 no PDB 4BXU . "Structure Of Pex14 In Complex With Pex5 Lvxef Motif" . . . . . 100.00 69 100.00 100.00 1.18e-40 . . . . 19368 1 6 no DBJ BAA36837 . "peroxisomal membrane anchor protein [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 7 no DBJ BAE00503 . "unnamed protein product [Macaca fascicularis]" . . . . . 95.65 108 98.48 100.00 5.75e-38 . . . . 19368 1 8 no DBJ BAE88740 . "unnamed protein product [Macaca fascicularis]" . . . . . 95.65 377 98.48 100.00 3.50e-35 . . . . 19368 1 9 no DBJ BAG35878 . "unnamed protein product [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 10 no DBJ BAG51028 . "unnamed protein product [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.09e-35 . . . . 19368 1 11 no EMBL CAG29317 . "PEX14 [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 12 no EMBL CAG46880 . "PEX14 [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 13 no GB AAC39843 . "peroxisomal membrane anchor protein HsPex14p [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 14 no GB AAH06327 . "Peroxisomal biogenesis factor 14 [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 15 no GB AAX36586 . "peroxisomal biogenesis factor 14 [synthetic construct]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 16 no GB ABM83701 . "peroxisomal biogenesis factor 14 [synthetic construct]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 17 no GB ABM86831 . "peroxisomal biogenesis factor 14 [synthetic construct]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 18 no REF NP_001271931 . "uncharacterized protein LOC101865931 [Macaca fascicularis]" . . . . . 95.65 377 98.48 100.00 3.50e-35 . . . . 19368 1 19 no REF NP_004556 . "peroxisomal membrane protein PEX14 [Homo sapiens]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 20 no REF XP_001118790 . "PREDICTED: peroxisomal membrane protein PEX14-like [Macaca mulatta]" . . . . . 95.65 584 96.97 98.48 4.34e-33 . . . . 19368 1 21 no REF XP_001162201 . "PREDICTED: peroxisomal membrane protein PEX14 isoform X1 [Pan troglodytes]" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 22 no REF XP_002811556 . "PREDICTED: LOW QUALITY PROTEIN: peroxisomal membrane protein PEX14 [Pongo abelii]" . . . . . 95.65 377 98.48 100.00 3.16e-35 . . . . 19368 1 23 no SP O75381 . "RecName: Full=Peroxisomal membrane protein PEX14; AltName: Full=PTS1 receptor-docking protein; AltName: Full=Peroxin-14; AltNam" . . . . . 95.65 377 98.48 100.00 3.22e-35 . . . . 19368 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 12 GLY . 19368 1 2 13 ALA . 19368 1 3 14 MET . 19368 1 4 15 ALA . 19368 1 5 16 THR . 19368 1 6 17 PRO . 19368 1 7 18 GLY . 19368 1 8 19 SER . 19368 1 9 20 GLU . 19368 1 10 21 ASN . 19368 1 11 22 VAL . 19368 1 12 23 LEU . 19368 1 13 24 PRO . 19368 1 14 25 ARG . 19368 1 15 26 GLU . 19368 1 16 27 PRO . 19368 1 17 28 LEU . 19368 1 18 29 ILE . 19368 1 19 30 ALA . 19368 1 20 31 THR . 19368 1 21 32 ALA . 19368 1 22 33 VAL . 19368 1 23 34 LYS . 19368 1 24 35 PHE . 19368 1 25 36 LEU . 19368 1 26 37 GLN . 19368 1 27 38 ASN . 19368 1 28 39 SER . 19368 1 29 40 ARG . 19368 1 30 41 VAL . 19368 1 31 42 ARG . 19368 1 32 43 GLN . 19368 1 33 44 SER . 19368 1 34 45 PRO . 19368 1 35 46 LEU . 19368 1 36 47 ALA . 19368 1 37 48 THR . 19368 1 38 49 ARG . 19368 1 39 50 ARG . 19368 1 40 51 ALA . 19368 1 41 52 PHE . 19368 1 42 53 LEU . 19368 1 43 54 LYS . 19368 1 44 55 LYS . 19368 1 45 56 LYS . 19368 1 46 57 GLY . 19368 1 47 58 LEU . 19368 1 48 59 THR . 19368 1 49 60 ASP . 19368 1 50 61 GLU . 19368 1 51 62 GLU . 19368 1 52 63 ILE . 19368 1 53 64 ASP . 19368 1 54 65 MET . 19368 1 55 66 ALA . 19368 1 56 67 PHE . 19368 1 57 68 GLN . 19368 1 58 69 GLN . 19368 1 59 70 SER . 19368 1 60 71 GLY . 19368 1 61 72 THR . 19368 1 62 73 ALA . 19368 1 63 74 ALA . 19368 1 64 75 ASP . 19368 1 65 76 GLU . 19368 1 66 77 PRO . 19368 1 67 78 SER . 19368 1 68 79 SER . 19368 1 69 80 LEU . 19368 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19368 1 . ALA 2 2 19368 1 . MET 3 3 19368 1 . ALA 4 4 19368 1 . THR 5 5 19368 1 . PRO 6 6 19368 1 . GLY 7 7 19368 1 . SER 8 8 19368 1 . GLU 9 9 19368 1 . ASN 10 10 19368 1 . VAL 11 11 19368 1 . LEU 12 12 19368 1 . PRO 13 13 19368 1 . ARG 14 14 19368 1 . GLU 15 15 19368 1 . PRO 16 16 19368 1 . LEU 17 17 19368 1 . ILE 18 18 19368 1 . ALA 19 19 19368 1 . THR 20 20 19368 1 . ALA 21 21 19368 1 . VAL 22 22 19368 1 . LYS 23 23 19368 1 . PHE 24 24 19368 1 . LEU 25 25 19368 1 . GLN 26 26 19368 1 . ASN 27 27 19368 1 . SER 28 28 19368 1 . ARG 29 29 19368 1 . VAL 30 30 19368 1 . ARG 31 31 19368 1 . GLN 32 32 19368 1 . SER 33 33 19368 1 . PRO 34 34 19368 1 . LEU 35 35 19368 1 . ALA 36 36 19368 1 . THR 37 37 19368 1 . ARG 38 38 19368 1 . ARG 39 39 19368 1 . ALA 40 40 19368 1 . PHE 41 41 19368 1 . LEU 42 42 19368 1 . LYS 43 43 19368 1 . LYS 44 44 19368 1 . LYS 45 45 19368 1 . GLY 46 46 19368 1 . LEU 47 47 19368 1 . THR 48 48 19368 1 . ASP 49 49 19368 1 . GLU 50 50 19368 1 . GLU 51 51 19368 1 . ILE 52 52 19368 1 . ASP 53 53 19368 1 . MET 54 54 19368 1 . ALA 55 55 19368 1 . PHE 56 56 19368 1 . GLN 57 57 19368 1 . GLN 58 58 19368 1 . SER 59 59 19368 1 . GLY 60 60 19368 1 . THR 61 61 19368 1 . ALA 62 62 19368 1 . ALA 63 63 19368 1 . ASP 64 64 19368 1 . GLU 65 65 19368 1 . PRO 66 66 19368 1 . SER 67 67 19368 1 . SER 68 68 19368 1 . LEU 69 69 19368 1 stop_ save_ save_PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR _Entity.Sf_category entity _Entity.Sf_framecode PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR _Entity.Entry_ID 19368 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ASEDELVAEFLQDQN _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'RESIDUES 57-71' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1701.7162 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP PEX5_HUMAN . P50542 . . . . . . . . . . . . . . 19368 2 2 no REF XP_004052675 . "PREDICTED: peroxisomal targeting signal 1 receptor-like, partial [Gorilla gorilla gorilla]" . . . . . 100.00 258 100.00 100.00 6.56e+00 . . . . 19368 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 57 ALA . 19368 2 2 58 SER . 19368 2 3 59 GLU . 19368 2 4 60 ASP . 19368 2 5 61 GLU . 19368 2 6 62 LEU . 19368 2 7 63 VAL . 19368 2 8 64 ALA . 19368 2 9 65 GLU . 19368 2 10 66 PHE . 19368 2 11 67 LEU . 19368 2 12 68 GLN . 19368 2 13 69 ASP . 19368 2 14 70 GLN . 19368 2 15 71 ASN . 19368 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 19368 2 . SER 2 2 19368 2 . GLU 3 3 19368 2 . ASP 4 4 19368 2 . GLU 5 5 19368 2 . LEU 6 6 19368 2 . VAL 7 7 19368 2 . ALA 8 8 19368 2 . GLU 9 9 19368 2 . PHE 10 10 19368 2 . LEU 11 11 19368 2 . GLN 12 12 19368 2 . ASP 13 13 19368 2 . GLN 14 14 19368 2 . ASN 15 15 19368 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19368 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19368 1 2 2 $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19368 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19368 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . n/a . . n/a . . . . . . 19368 1 2 2 $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . n/a . . . . . . . . . 19368 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19368 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PEROXISOMAL MEMBRANE PROTEIN PEX14' '[U-13C; U-15N]' . . 1 $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 . . . . . mM . . . . 19368 1 2 'PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR' '[U-13C; U-15N]' . . 2 $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR . . . . . mM . . . . 19368 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19368 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.5], temp [298], pressure [0.0], ionStrength [0.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . mM 19368 1 pH 6.500 . pH 19368 1 pressure 1 . atm 19368 1 temperature 298.000 . K 19368 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA1.2_CNS _Software.Sf_category software _Software.Sf_framecode ARIA1.2_CNS _Software.Entry_ID 19368 _Software.ID 1 _Software.Name ARIA1.2_CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JP Linge, SI O Donoghue and M Nilges' . . 19368 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19368 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-0 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-0 _NMR_spectrometer.Entry_ID 19368 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19368 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_Avance-0 Bruker Avance . 0 . . . 19368 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19368 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 Experiment_1 no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-0 . . . . . . . . . . . . . . . . 19368 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19368 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance-0 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19368 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.25144953 . . . . . . . . . 19368 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . . . . . 19368 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 19368 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19368 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bxu/ebi/pex5_4.str.csh' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 Experiment_1 1 $sample_1 solution 19368 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.854 . . . . . . . 12 GLY HA . 19368 1 2 . 1 1 1 1 GLY HA3 H 1 3.854 . . . . . . . 12 GLY HA . 19368 1 3 . 1 1 1 1 GLY CA C 13 43.341 . . . . . . . 12 GLY CA . 19368 1 4 . 1 1 2 2 ALA HA H 1 4.364 . . . . . . . 13 ALA HA . 19368 1 5 . 1 1 2 2 ALA CA C 13 52.542 . . . . . . . 13 ALA CA . 19368 1 6 . 1 1 2 2 ALA CB C 13 19.414 . . . . . . . 13 ALA CB . 19368 1 7 . 1 1 3 3 MET H H 1 8.472 . . . . . . . 14 MET H . 19368 1 8 . 1 1 3 3 MET HA H 1 4.475 . . . . . . . 14 MET HA . 19368 1 9 . 1 1 3 3 MET HB2 H 1 2.019 . . . . . . . 14 MET HB2 . 19368 1 10 . 1 1 3 3 MET HB3 H 1 2.088 . . . . . . . 14 MET HB3 . 19368 1 11 . 1 1 3 3 MET HG2 H 1 2.580 . . . . . . . 14 MET HG2 . 19368 1 12 . 1 1 3 3 MET HG3 H 1 2.621 . . . . . . . 14 MET HG3 . 19368 1 13 . 1 1 3 3 MET CA C 13 55.324 . . . . . . . 14 MET CA . 19368 1 14 . 1 1 3 3 MET CB C 13 33.110 . . . . . . . 14 MET CB . 19368 1 15 . 1 1 3 3 MET CG C 13 31.963 . . . . . . . 14 MET CG . 19368 1 16 . 1 1 3 3 MET N N 15 120.012 . . . . . . . 14 MET N . 19368 1 17 . 1 1 4 4 ALA H H 1 8.407 . . . . . . . 15 ALA H . 19368 1 18 . 1 1 4 4 ALA CA C 13 52.376 . . . . . . . 15 ALA CA . 19368 1 19 . 1 1 4 4 ALA CB C 13 19.359 . . . . . . . 15 ALA CB . 19368 1 20 . 1 1 4 4 ALA N N 15 125.985 . . . . . . . 15 ALA N . 19368 1 21 . 1 1 5 5 THR H H 1 8.265 . . . . . . . 16 THR H . 19368 1 22 . 1 1 5 5 THR HA H 1 4.593 . . . . . . . 16 THR HA . 19368 1 23 . 1 1 5 5 THR HB H 1 4.170 . . . . . . . 16 THR HB . 19368 1 24 . 1 1 5 5 THR HG21 H 1 1.256 . . . . . . . 16 THR HG2 . 19368 1 25 . 1 1 5 5 THR HG22 H 1 1.256 . . . . . . . 16 THR HG2 . 19368 1 26 . 1 1 5 5 THR HG23 H 1 1.256 . . . . . . . 16 THR HG2 . 19368 1 27 . 1 1 5 5 THR CA C 13 59.744 . . . . . . . 16 THR CA . 19368 1 28 . 1 1 5 5 THR CB C 13 69.724 . . . . . . . 16 THR CB . 19368 1 29 . 1 1 5 5 THR CG2 C 13 21.482 . . . . . . . 16 THR CG . 19368 1 30 . 1 1 5 5 THR N N 15 116.264 . . . . . . . 16 THR N . 19368 1 31 . 1 1 6 6 PRO HA H 1 4.441 . . . . . . . 17 PRO HA . 19368 1 32 . 1 1 6 6 PRO HB2 H 1 1.967 . . . . . . . 17 PRO HB2 . 19368 1 33 . 1 1 6 6 PRO HB3 H 1 2.350 . . . . . . . 17 PRO HB3 . 19368 1 34 . 1 1 6 6 PRO HG2 H 1 2.112 . . . . . . . 17 PRO HG . 19368 1 35 . 1 1 6 6 PRO HG3 H 1 2.112 . . . . . . . 17 PRO HG . 19368 1 36 . 1 1 6 6 PRO HD2 H 1 3.733 . . . . . . . 17 PRO HD2 . 19368 1 37 . 1 1 6 6 PRO HD3 H 1 3.886 . . . . . . . 17 PRO HD3 . 19368 1 38 . 1 1 6 6 PRO CA C 13 63.765 . . . . . . . 17 PRO CA . 19368 1 39 . 1 1 6 6 PRO CB C 13 32.036 . . . . . . . 17 PRO CB . 19368 1 40 . 1 1 6 6 PRO CG C 13 27.472 . . . . . . . 17 PRO CG . 19368 1 41 . 1 1 6 6 PRO CD C 13 51.089 . . . . . . . 17 PRO CD . 19368 1 42 . 1 1 7 7 GLY H H 1 8.665 . . . . . . . 18 GLY H . 19368 1 43 . 1 1 7 7 GLY HA2 H 1 3.993 . . . . . . . 18 GLY HA2 . 19368 1 44 . 1 1 7 7 GLY HA3 H 1 4.068 . . . . . . . 18 GLY HA3 . 19368 1 45 . 1 1 7 7 GLY CA C 13 45.385 . . . . . . . 18 GLY CA . 19368 1 46 . 1 1 7 7 GLY N N 15 110.651 . . . . . . . 18 GLY N . 19368 1 47 . 1 1 8 8 SER H H 1 8.188 . . . . . . . 19 SER H . 19368 1 48 . 1 1 8 8 SER HA H 1 4.468 . . . . . . . 19 SER HA . 19368 1 49 . 1 1 8 8 SER HB2 H 1 3.921 . . . . . . . 19 SER HB . 19368 1 50 . 1 1 8 8 SER HB3 H 1 3.921 . . . . . . . 19 SER HB . 19368 1 51 . 1 1 8 8 SER CA C 13 58.654 . . . . . . . 19 SER CA . 19368 1 52 . 1 1 8 8 SER CB C 13 63.951 . . . . . . . 19 SER CB . 19368 1 53 . 1 1 8 8 SER N N 15 115.627 . . . . . . . 19 SER N . 19368 1 54 . 1 1 9 9 GLU H H 1 8.707 . . . . . . . 20 GLU H . 19368 1 55 . 1 1 9 9 GLU HA H 1 4.308 . . . . . . . 20 GLU HA . 19368 1 56 . 1 1 9 9 GLU HB2 H 1 1.950 . . . . . . . 20 GLU HB2 . 19368 1 57 . 1 1 9 9 GLU HB3 H 1 2.068 . . . . . . . 20 GLU HB3 . 19368 1 58 . 1 1 9 9 GLU HG2 H 1 2.272 . . . . . . . 20 GLU HG . 19368 1 59 . 1 1 9 9 GLU HG3 H 1 2.272 . . . . . . . 20 GLU HG . 19368 1 60 . 1 1 9 9 GLU CA C 13 56.860 . . . . . . . 20 GLU CA . 19368 1 61 . 1 1 9 9 GLU CB C 13 30.060 . . . . . . . 20 GLU CB . 19368 1 62 . 1 1 9 9 GLU CG C 13 36.183 . . . . . . . 20 GLU CG . 19368 1 63 . 1 1 9 9 GLU N N 15 122.373 . . . . . . . 20 GLU N . 19368 1 64 . 1 1 10 10 ASN H H 1 8.412 . . . . . . . 21 ASN H . 19368 1 65 . 1 1 10 10 ASN HA H 1 4.733 . . . . . . . 21 ASN HA . 19368 1 66 . 1 1 10 10 ASN HB2 H 1 2.724 . . . . . . . 21 ASN HB2 . 19368 1 67 . 1 1 10 10 ASN HB3 H 1 2.819 . . . . . . . 21 ASN HB3 . 19368 1 68 . 1 1 10 10 ASN CA C 13 53.299 . . . . . . . 21 ASN CA . 19368 1 69 . 1 1 10 10 ASN CB C 13 39.038 . . . . . . . 21 ASN CB . 19368 1 70 . 1 1 10 10 ASN N N 15 119.635 . . . . . . . 21 ASN N . 19368 1 71 . 1 1 11 11 VAL H H 1 8.121 . . . . . . . 22 VAL H . 19368 1 72 . 1 1 11 11 VAL HA H 1 4.139 . . . . . . . 22 VAL HA . 19368 1 73 . 1 1 11 11 VAL HB H 1 2.071 . . . . . . . 22 VAL HB . 19368 1 74 . 1 1 11 11 VAL HG11 H 1 0.924 . . . . . . . 22 VAL HG1 . 19368 1 75 . 1 1 11 11 VAL HG12 H 1 0.924 . . . . . . . 22 VAL HG1 . 19368 1 76 . 1 1 11 11 VAL HG13 H 1 0.924 . . . . . . . 22 VAL HG1 . 19368 1 77 . 1 1 11 11 VAL HG21 H 1 0.926 . . . . . . . 22 VAL HG2 . 19368 1 78 . 1 1 11 11 VAL HG22 H 1 0.926 . . . . . . . 22 VAL HG2 . 19368 1 79 . 1 1 11 11 VAL HG23 H 1 0.926 . . . . . . . 22 VAL HG2 . 19368 1 80 . 1 1 11 11 VAL CA C 13 62.095 . . . . . . . 22 VAL CA . 19368 1 81 . 1 1 11 11 VAL CB C 13 32.722 . . . . . . . 22 VAL CB . 19368 1 82 . 1 1 11 11 VAL CG1 C 13 21.160 . . . . . . . 22 VAL CG1 . 19368 1 83 . 1 1 11 11 VAL CG2 C 13 20.681 . . . . . . . 22 VAL CG2 . 19368 1 84 . 1 1 11 11 VAL N N 15 120.913 . . . . . . . 22 VAL N . 19368 1 85 . 1 1 12 12 LEU H H 1 8.288 . . . . . . . 23 LEU H . 19368 1 86 . 1 1 12 12 LEU HA H 1 4.656 . . . . . . . 23 LEU HA . 19368 1 87 . 1 1 12 12 LEU HB2 H 1 1.570 . . . . . . . 23 LEU HB2 . 19368 1 88 . 1 1 12 12 LEU HB3 H 1 1.638 . . . . . . . 23 LEU HB3 . 19368 1 89 . 1 1 12 12 LEU HG H 1 1.728 . . . . . . . 23 LEU HG . 19368 1 90 . 1 1 12 12 LEU HD11 H 1 0.976 . . . . . . . 23 LEU HD1 . 19368 1 91 . 1 1 12 12 LEU HD12 H 1 0.976 . . . . . . . 23 LEU HD1 . 19368 1 92 . 1 1 12 12 LEU HD13 H 1 0.976 . . . . . . . 23 LEU HD1 . 19368 1 93 . 1 1 12 12 LEU HD21 H 1 0.937 . . . . . . . 23 LEU HD2 . 19368 1 94 . 1 1 12 12 LEU HD22 H 1 0.937 . . . . . . . 23 LEU HD2 . 19368 1 95 . 1 1 12 12 LEU HD23 H 1 0.937 . . . . . . . 23 LEU HD2 . 19368 1 96 . 1 1 12 12 LEU CA C 13 53.165 . . . . . . . 23 LEU CA . 19368 1 97 . 1 1 12 12 LEU CB C 13 41.475 . . . . . . . 23 LEU CB . 19368 1 98 . 1 1 12 12 LEU CG C 13 27.169 . . . . . . . 23 LEU CG . 19368 1 99 . 1 1 12 12 LEU CD1 C 13 25.221 . . . . . . . 23 LEU CD1 . 19368 1 100 . 1 1 12 12 LEU CD2 C 13 23.205 . . . . . . . 23 LEU CD2 . 19368 1 101 . 1 1 12 12 LEU N N 15 127.553 . . . . . . . 23 LEU N . 19368 1 102 . 1 1 13 13 PRO HA H 1 4.480 . . . . . . . 24 PRO HA . 19368 1 103 . 1 1 13 13 PRO HB2 H 1 1.854 . . . . . . . 24 PRO HB2 . 19368 1 104 . 1 1 13 13 PRO HB3 H 1 2.211 . . . . . . . 24 PRO HB3 . 19368 1 105 . 1 1 13 13 PRO HG2 H 1 1.954 . . . . . . . 24 PRO HG2 . 19368 1 106 . 1 1 13 13 PRO HG3 H 1 2.065 . . . . . . . 24 PRO HG3 . 19368 1 107 . 1 1 13 13 PRO HD2 H 1 3.639 . . . . . . . 24 PRO HD2 . 19368 1 108 . 1 1 13 13 PRO HD3 H 1 3.957 . . . . . . . 24 PRO HD3 . 19368 1 109 . 1 1 13 13 PRO CA C 13 63.229 . . . . . . . 24 PRO CA . 19368 1 110 . 1 1 13 13 PRO CB C 13 32.676 . . . . . . . 24 PRO CB . 19368 1 111 . 1 1 13 13 PRO CG C 13 27.626 . . . . . . . 24 PRO CG . 19368 1 112 . 1 1 13 13 PRO CD C 13 50.756 . . . . . . . 24 PRO CD . 19368 1 113 . 1 1 14 14 ARG H H 1 9.596 . . . . . . . 25 ARG H . 19368 1 114 . 1 1 14 14 ARG HA H 1 4.408 . . . . . . . 25 ARG HA . 19368 1 115 . 1 1 14 14 ARG HB2 H 1 1.857 . . . . . . . 25 ARG HB2 . 19368 1 116 . 1 1 14 14 ARG HB3 H 1 2.056 . . . . . . . 25 ARG HB3 . 19368 1 117 . 1 1 14 14 ARG HG2 H 1 1.811 . . . . . . . 25 ARG HG2 . 19368 1 118 . 1 1 14 14 ARG HG3 H 1 1.878 . . . . . . . 25 ARG HG3 . 19368 1 119 . 1 1 14 14 ARG HD2 H 1 3.087 . . . . . . . 25 ARG HD2 . 19368 1 120 . 1 1 14 14 ARG HD3 H 1 3.311 . . . . . . . 25 ARG HD3 . 19368 1 121 . 1 1 14 14 ARG CA C 13 55.216 . . . . . . . 25 ARG CA . 19368 1 122 . 1 1 14 14 ARG CB C 13 29.578 . . . . . . . 25 ARG CB . 19368 1 123 . 1 1 14 14 ARG CG C 13 25.494 . . . . . . . 25 ARG CG . 19368 1 124 . 1 1 14 14 ARG CD C 13 42.784 . . . . . . . 25 ARG CD . 19368 1 125 . 1 1 14 14 ARG N N 15 124.446 . . . . . . . 25 ARG N . 19368 1 126 . 1 1 15 15 GLU H H 1 8.833 . . . . . . . 26 GLU H . 19368 1 127 . 1 1 15 15 GLU HA H 1 4.095 . . . . . . . 26 GLU HA . 19368 1 128 . 1 1 15 15 GLU HB2 H 1 2.142 . . . . . . . 26 GLU HB . 19368 1 129 . 1 1 15 15 GLU HB3 H 1 2.142 . . . . . . . 26 GLU HB . 19368 1 130 . 1 1 15 15 GLU HG2 H 1 2.321 . . . . . . . 26 GLU HG2 . 19368 1 131 . 1 1 15 15 GLU HG3 H 1 2.416 . . . . . . . 26 GLU HG3 . 19368 1 132 . 1 1 15 15 GLU CA C 13 61.326 . . . . . . . 26 GLU CA . 19368 1 133 . 1 1 15 15 GLU CB C 13 27.149 . . . . . . . 26 GLU CB . 19368 1 134 . 1 1 15 15 GLU CG C 13 36.553 . . . . . . . 26 GLU CG . 19368 1 135 . 1 1 15 15 GLU N N 15 125.404 . . . . . . . 26 GLU N . 19368 1 136 . 1 1 16 16 PRO HA H 1 4.423 . . . . . . . 27 PRO HA . 19368 1 137 . 1 1 16 16 PRO HB2 H 1 1.851 . . . . . . . 27 PRO HB2 . 19368 1 138 . 1 1 16 16 PRO HB3 H 1 2.406 . . . . . . . 27 PRO HB3 . 19368 1 139 . 1 1 16 16 PRO HG2 H 1 2.016 . . . . . . . 27 PRO HG2 . 19368 1 140 . 1 1 16 16 PRO HG3 H 1 2.102 . . . . . . . 27 PRO HG3 . 19368 1 141 . 1 1 16 16 PRO HD2 H 1 3.576 . . . . . . . 27 PRO HD2 . 19368 1 142 . 1 1 16 16 PRO HD3 H 1 3.886 . . . . . . . 27 PRO HD3 . 19368 1 143 . 1 1 16 16 PRO CA C 13 65.908 . . . . . . . 27 PRO CA . 19368 1 144 . 1 1 16 16 PRO CB C 13 31.268 . . . . . . . 27 PRO CB . 19368 1 145 . 1 1 16 16 PRO CG C 13 28.477 . . . . . . . 27 PRO CG . 19368 1 146 . 1 1 16 16 PRO CD C 13 50.811 . . . . . . . 27 PRO CD . 19368 1 147 . 1 1 17 17 LEU H H 1 6.898 . . . . . . . 28 LEU H . 19368 1 148 . 1 1 17 17 LEU HA H 1 4.220 . . . . . . . 28 LEU HA . 19368 1 149 . 1 1 17 17 LEU HB2 H 1 1.643 . . . . . . . 28 LEU HB2 . 19368 1 150 . 1 1 17 17 LEU HB3 H 1 1.705 . . . . . . . 28 LEU HB3 . 19368 1 151 . 1 1 17 17 LEU HG H 1 1.549 . . . . . . . 28 LEU HG . 19368 1 152 . 1 1 17 17 LEU HD11 H 1 0.847 . . . . . . . 28 LEU HD1 . 19368 1 153 . 1 1 17 17 LEU HD12 H 1 0.847 . . . . . . . 28 LEU HD1 . 19368 1 154 . 1 1 17 17 LEU HD13 H 1 0.847 . . . . . . . 28 LEU HD1 . 19368 1 155 . 1 1 17 17 LEU HD21 H 1 0.892 . . . . . . . 28 LEU HD2 . 19368 1 156 . 1 1 17 17 LEU HD22 H 1 0.892 . . . . . . . 28 LEU HD2 . 19368 1 157 . 1 1 17 17 LEU HD23 H 1 0.892 . . . . . . . 28 LEU HD2 . 19368 1 158 . 1 1 17 17 LEU CA C 13 57.211 . . . . . . . 28 LEU CA . 19368 1 159 . 1 1 17 17 LEU CB C 13 41.860 . . . . . . . 28 LEU CB . 19368 1 160 . 1 1 17 17 LEU CG C 13 27.279 . . . . . . . 28 LEU CG . 19368 1 161 . 1 1 17 17 LEU CD1 C 13 24.105 . . . . . . . 28 LEU CD1 . 19368 1 162 . 1 1 17 17 LEU CD2 C 13 23.487 . . . . . . . 28 LEU CD2 . 19368 1 163 . 1 1 17 17 LEU N N 15 117.729 . . . . . . . 28 LEU N . 19368 1 164 . 1 1 18 18 ILE H H 1 7.862 . . . . . . . 29 ILE H . 19368 1 165 . 1 1 18 18 ILE HA H 1 3.393 . . . . . . . 29 ILE HA . 19368 1 166 . 1 1 18 18 ILE HB H 1 1.888 . . . . . . . 29 ILE HB . 19368 1 167 . 1 1 18 18 ILE HG12 H 1 1.079 . . . . . . . 29 ILE HG12 . 19368 1 168 . 1 1 18 18 ILE HG13 H 1 1.651 . . . . . . . 29 ILE HG13 . 19368 1 169 . 1 1 18 18 ILE HG21 H 1 0.794 . . . . . . . 29 ILE HG2 . 19368 1 170 . 1 1 18 18 ILE HG22 H 1 0.794 . . . . . . . 29 ILE HG2 . 19368 1 171 . 1 1 18 18 ILE HG23 H 1 0.794 . . . . . . . 29 ILE HG2 . 19368 1 172 . 1 1 18 18 ILE HD11 H 1 0.920 . . . . . . . 29 ILE HD1 . 19368 1 173 . 1 1 18 18 ILE HD12 H 1 0.920 . . . . . . . 29 ILE HD1 . 19368 1 174 . 1 1 18 18 ILE HD13 H 1 0.920 . . . . . . . 29 ILE HD1 . 19368 1 175 . 1 1 18 18 ILE CA C 13 65.722 . . . . . . . 29 ILE CA . 19368 1 176 . 1 1 18 18 ILE CB C 13 38.278 . . . . . . . 29 ILE CB . 19368 1 177 . 1 1 18 18 ILE CG1 C 13 28.836 . . . . . . . 29 ILE CG1 . 19368 1 178 . 1 1 18 18 ILE CG2 C 13 17.043 . . . . . . . 29 ILE CG2 . 19368 1 179 . 1 1 18 18 ILE CD1 C 13 14.927 . . . . . . . 29 ILE CD1 . 19368 1 180 . 1 1 18 18 ILE N N 15 120.087 . . . . . . . 29 ILE N . 19368 1 181 . 1 1 19 19 ALA H H 1 8.205 . . . . . . . 30 ALA H . 19368 1 182 . 1 1 19 19 ALA HA H 1 4.057 . . . . . . . 30 ALA HA . 19368 1 183 . 1 1 19 19 ALA HB1 H 1 1.500 . . . . . . . 30 ALA HB . 19368 1 184 . 1 1 19 19 ALA HB2 H 1 1.500 . . . . . . . 30 ALA HB . 19368 1 185 . 1 1 19 19 ALA HB3 H 1 1.500 . . . . . . . 30 ALA HB . 19368 1 186 . 1 1 19 19 ALA CA C 13 55.593 . . . . . . . 30 ALA CA . 19368 1 187 . 1 1 19 19 ALA CB C 13 17.922 . . . . . . . 30 ALA CB . 19368 1 188 . 1 1 19 19 ALA N N 15 120.362 . . . . . . . 30 ALA N . 19368 1 189 . 1 1 20 20 THR H H 1 7.747 . . . . . . . 31 THR H . 19368 1 190 . 1 1 20 20 THR HA H 1 3.957 . . . . . . . 31 THR HA . 19368 1 191 . 1 1 20 20 THR HB H 1 4.202 . . . . . . . 31 THR HB . 19368 1 192 . 1 1 20 20 THR HG21 H 1 1.244 . . . . . . . 31 THR HG2 . 19368 1 193 . 1 1 20 20 THR HG22 H 1 1.244 . . . . . . . 31 THR HG2 . 19368 1 194 . 1 1 20 20 THR HG23 H 1 1.244 . . . . . . . 31 THR HG2 . 19368 1 195 . 1 1 20 20 THR CA C 13 66.682 . . . . . . . 31 THR CA . 19368 1 196 . 1 1 20 20 THR CB C 13 68.773 . . . . . . . 31 THR CB . 19368 1 197 . 1 1 20 20 THR CG2 C 13 22.211 . . . . . . . 31 THR CG . 19368 1 198 . 1 1 20 20 THR N N 15 115.052 . . . . . . . 31 THR N . 19368 1 199 . 1 1 21 21 ALA H H 1 8.224 . . . . . . . 32 ALA H . 19368 1 200 . 1 1 21 21 ALA HA H 1 3.942 . . . . . . . 32 ALA HA . 19368 1 201 . 1 1 21 21 ALA HB1 H 1 1.396 . . . . . . . 32 ALA HB . 19368 1 202 . 1 1 21 21 ALA HB2 H 1 1.396 . . . . . . . 32 ALA HB . 19368 1 203 . 1 1 21 21 ALA HB3 H 1 1.396 . . . . . . . 32 ALA HB . 19368 1 204 . 1 1 21 21 ALA CA C 13 55.396 . . . . . . . 32 ALA CA . 19368 1 205 . 1 1 21 21 ALA CB C 13 18.954 . . . . . . . 32 ALA CB . 19368 1 206 . 1 1 21 21 ALA N N 15 124.841 . . . . . . . 32 ALA N . 19368 1 207 . 1 1 22 22 VAL H H 1 8.802 . . . . . . . 33 VAL H . 19368 1 208 . 1 1 22 22 VAL HA H 1 3.318 . . . . . . . 33 VAL HA . 19368 1 209 . 1 1 22 22 VAL HB H 1 2.225 . . . . . . . 33 VAL HB . 19368 1 210 . 1 1 22 22 VAL HG11 H 1 0.699 . . . . . . . 33 VAL HG1 . 19368 1 211 . 1 1 22 22 VAL HG12 H 1 0.699 . . . . . . . 33 VAL HG1 . 19368 1 212 . 1 1 22 22 VAL HG13 H 1 0.699 . . . . . . . 33 VAL HG1 . 19368 1 213 . 1 1 22 22 VAL HG21 H 1 1.189 . . . . . . . 33 VAL HG2 . 19368 1 214 . 1 1 22 22 VAL HG22 H 1 1.189 . . . . . . . 33 VAL HG2 . 19368 1 215 . 1 1 22 22 VAL HG23 H 1 1.189 . . . . . . . 33 VAL HG2 . 19368 1 216 . 1 1 22 22 VAL CA C 13 67.656 . . . . . . . 33 VAL CA . 19368 1 217 . 1 1 22 22 VAL CB C 13 31.639 . . . . . . . 33 VAL CB . 19368 1 218 . 1 1 22 22 VAL CG1 C 13 21.033 . . . . . . . 33 VAL CG1 . 19368 1 219 . 1 1 22 22 VAL CG2 C 13 24.836 . . . . . . . 33 VAL CG2 . 19368 1 220 . 1 1 22 22 VAL N N 15 119.071 . . . . . . . 33 VAL N . 19368 1 221 . 1 1 23 23 LYS H H 1 7.046 . . . . . . . 34 LYS H . 19368 1 222 . 1 1 23 23 LYS HB2 H 1 1.965 . . . . . . . 34 LYS HB . 19368 1 223 . 1 1 23 23 LYS HB3 H 1 1.965 . . . . . . . 34 LYS HB . 19368 1 224 . 1 1 23 23 LYS HG2 H 1 1.663 . . . . . . . 34 LYS HG . 19368 1 225 . 1 1 23 23 LYS HG3 H 1 1.663 . . . . . . . 34 LYS HG . 19368 1 226 . 1 1 23 23 LYS HE2 H 1 3.008 . . . . . . . 34 LYS HE . 19368 1 227 . 1 1 23 23 LYS HE3 H 1 3.008 . . . . . . . 34 LYS HE . 19368 1 228 . 1 1 23 23 LYS CA C 13 59.225 . . . . . . . 34 LYS CA . 19368 1 229 . 1 1 23 23 LYS CB C 13 32.011 . . . . . . . 34 LYS CB . 19368 1 230 . 1 1 23 23 LYS CG C 13 25.378 . . . . . . . 34 LYS CG . 19368 1 231 . 1 1 23 23 LYS CE C 13 42.125 . . . . . . . 34 LYS CE . 19368 1 232 . 1 1 23 23 LYS N N 15 116.567 . . . . . . . 34 LYS N . 19368 1 233 . 1 1 24 24 PHE H H 1 8.095 . . . . . . . 35 PHE H . 19368 1 234 . 1 1 24 24 PHE HA H 1 4.029 . . . . . . . 35 PHE HA . 19368 1 235 . 1 1 24 24 PHE HB2 H 1 3.126 . . . . . . . 35 PHE HB2 . 19368 1 236 . 1 1 24 24 PHE HB3 H 1 3.430 . . . . . . . 35 PHE HB3 . 19368 1 237 . 1 1 24 24 PHE CA C 13 61.207 . . . . . . . 35 PHE CA . 19368 1 238 . 1 1 24 24 PHE CB C 13 39.177 . . . . . . . 35 PHE CB . 19368 1 239 . 1 1 24 24 PHE N N 15 121.302 . . . . . . . 35 PHE N . 19368 1 240 . 1 1 25 25 LEU H H 1 8.290 . . . . . . . 36 LEU H . 19368 1 241 . 1 1 25 25 LEU HA H 1 3.442 . . . . . . . 36 LEU HA . 19368 1 242 . 1 1 25 25 LEU HB2 H 1 1.237 . . . . . . . 36 LEU HB2 . 19368 1 243 . 1 1 25 25 LEU HB3 H 1 1.812 . . . . . . . 36 LEU HB3 . 19368 1 244 . 1 1 25 25 LEU HG H 1 2.012 . . . . . . . 36 LEU HG . 19368 1 245 . 1 1 25 25 LEU HD11 H 1 0.166 . . . . . . . 36 LEU HD1 . 19368 1 246 . 1 1 25 25 LEU HD12 H 1 0.166 . . . . . . . 36 LEU HD1 . 19368 1 247 . 1 1 25 25 LEU HD13 H 1 0.166 . . . . . . . 36 LEU HD1 . 19368 1 248 . 1 1 25 25 LEU HD21 H 1 0.580 . . . . . . . 36 LEU HD2 . 19368 1 249 . 1 1 25 25 LEU HD22 H 1 0.580 . . . . . . . 36 LEU HD2 . 19368 1 250 . 1 1 25 25 LEU HD23 H 1 0.580 . . . . . . . 36 LEU HD2 . 19368 1 251 . 1 1 25 25 LEU CA C 13 56.141 . . . . . . . 36 LEU CA . 19368 1 252 . 1 1 25 25 LEU CB C 13 41.406 . . . . . . . 36 LEU CB . 19368 1 253 . 1 1 25 25 LEU CG C 13 26.744 . . . . . . . 36 LEU CG . 19368 1 254 . 1 1 25 25 LEU CD1 C 13 25.373 . . . . . . . 36 LEU CD1 . 19368 1 255 . 1 1 25 25 LEU CD2 C 13 22.217 . . . . . . . 36 LEU CD2 . 19368 1 256 . 1 1 25 25 LEU N N 15 116.851 . . . . . . . 36 LEU N . 19368 1 257 . 1 1 26 26 GLN H H 1 7.393 . . . . . . . 37 GLN H . 19368 1 258 . 1 1 26 26 GLN HA H 1 4.020 . . . . . . . 37 GLN HA . 19368 1 259 . 1 1 26 26 GLN HB2 H 1 2.110 . . . . . . . 37 GLN HB . 19368 1 260 . 1 1 26 26 GLN HB3 H 1 2.110 . . . . . . . 37 GLN HB . 19368 1 261 . 1 1 26 26 GLN HG2 H 1 2.269 . . . . . . . 37 GLN HG2 . 19368 1 262 . 1 1 26 26 GLN HG3 H 1 2.765 . . . . . . . 37 GLN HG3 . 19368 1 263 . 1 1 26 26 GLN CA C 13 56.007 . . . . . . . 37 GLN CA . 19368 1 264 . 1 1 26 26 GLN CB C 13 29.170 . . . . . . . 37 GLN CB . 19368 1 265 . 1 1 26 26 GLN CG C 13 34.916 . . . . . . . 37 GLN CG . 19368 1 266 . 1 1 26 26 GLN N N 15 113.001 . . . . . . . 37 GLN N . 19368 1 267 . 1 1 27 27 ASN H H 1 7.352 . . . . . . . 38 ASN H . 19368 1 268 . 1 1 27 27 ASN HA H 1 4.380 . . . . . . . 38 ASN HA . 19368 1 269 . 1 1 27 27 ASN HB2 H 1 2.664 . . . . . . . 38 ASN HB2 . 19368 1 270 . 1 1 27 27 ASN HB3 H 1 2.784 . . . . . . . 38 ASN HB3 . 19368 1 271 . 1 1 27 27 ASN CA C 13 55.131 . . . . . . . 38 ASN CA . 19368 1 272 . 1 1 27 27 ASN CB C 13 40.024 . . . . . . . 38 ASN CB . 19368 1 273 . 1 1 27 27 ASN N N 15 121.897 . . . . . . . 38 ASN N . 19368 1 274 . 1 1 28 28 SER H H 1 9.049 . . . . . . . 39 SER H . 19368 1 275 . 1 1 28 28 SER HA H 1 3.907 . . . . . . . 39 SER HA . 19368 1 276 . 1 1 28 28 SER CA C 13 62.898 . . . . . . . 39 SER CA . 19368 1 277 . 1 1 28 28 SER N N 15 122.227 . . . . . . . 39 SER N . 19368 1 278 . 1 1 29 29 ARG H H 1 7.978 . . . . . . . 40 ARG H . 19368 1 279 . 1 1 29 29 ARG HA H 1 4.228 . . . . . . . 40 ARG HA . 19368 1 280 . 1 1 29 29 ARG HB2 H 1 1.934 . . . . . . . 40 ARG HB . 19368 1 281 . 1 1 29 29 ARG HB3 H 1 1.934 . . . . . . . 40 ARG HB . 19368 1 282 . 1 1 29 29 ARG HG2 H 1 1.653 . . . . . . . 40 ARG HG2 . 19368 1 283 . 1 1 29 29 ARG HG3 H 1 1.778 . . . . . . . 40 ARG HG3 . 19368 1 284 . 1 1 29 29 ARG HD2 H 1 3.170 . . . . . . . 40 ARG HD2 . 19368 1 285 . 1 1 29 29 ARG HD3 H 1 3.248 . . . . . . . 40 ARG HD3 . 19368 1 286 . 1 1 29 29 ARG CA C 13 58.376 . . . . . . . 40 ARG CA . 19368 1 287 . 1 1 29 29 ARG CB C 13 30.025 . . . . . . . 40 ARG CB . 19368 1 288 . 1 1 29 29 ARG CG C 13 27.607 . . . . . . . 40 ARG CG . 19368 1 289 . 1 1 29 29 ARG CD C 13 43.065 . . . . . . . 40 ARG CD . 19368 1 290 . 1 1 29 29 ARG N N 15 120.158 . . . . . . . 40 ARG N . 19368 1 291 . 1 1 30 30 VAL H H 1 8.042 . . . . . . . 41 VAL H . 19368 1 292 . 1 1 30 30 VAL HA H 1 3.410 . . . . . . . 41 VAL HA . 19368 1 293 . 1 1 30 30 VAL HB H 1 1.969 . . . . . . . 41 VAL HB . 19368 1 294 . 1 1 30 30 VAL HG11 H 1 -0.242 . . . . . . . 41 VAL HG1 . 19368 1 295 . 1 1 30 30 VAL HG12 H 1 -0.242 . . . . . . . 41 VAL HG1 . 19368 1 296 . 1 1 30 30 VAL HG13 H 1 -0.242 . . . . . . . 41 VAL HG1 . 19368 1 297 . 1 1 30 30 VAL HG21 H 1 0.473 . . . . . . . 41 VAL HG2 . 19368 1 298 . 1 1 30 30 VAL HG22 H 1 0.473 . . . . . . . 41 VAL HG2 . 19368 1 299 . 1 1 30 30 VAL HG23 H 1 0.473 . . . . . . . 41 VAL HG2 . 19368 1 300 . 1 1 30 30 VAL CA C 13 66.318 . . . . . . . 41 VAL CA . 19368 1 301 . 1 1 30 30 VAL CB C 13 31.567 . . . . . . . 41 VAL CB . 19368 1 302 . 1 1 30 30 VAL CG1 C 13 20.632 . . . . . . . 41 VAL CG1 . 19368 1 303 . 1 1 30 30 VAL CG2 C 13 23.112 . . . . . . . 41 VAL CG2 . 19368 1 304 . 1 1 30 30 VAL N N 15 123.580 . . . . . . . 41 VAL N . 19368 1 305 . 1 1 31 31 ARG H H 1 7.879 . . . . . . . 42 ARG H . 19368 1 306 . 1 1 31 31 ARG HA H 1 3.847 . . . . . . . 42 ARG HA . 19368 1 307 . 1 1 31 31 ARG HB2 H 1 1.739 . . . . . . . 42 ARG HB2 . 19368 1 308 . 1 1 31 31 ARG HB3 H 1 2.003 . . . . . . . 42 ARG HB3 . 19368 1 309 . 1 1 31 31 ARG HG2 H 1 1.634 . . . . . . . 42 ARG HG2 . 19368 1 310 . 1 1 31 31 ARG HG3 H 1 1.812 . . . . . . . 42 ARG HG3 . 19368 1 311 . 1 1 31 31 ARG HD2 H 1 3.001 . . . . . . . 42 ARG HD2 . 19368 1 312 . 1 1 31 31 ARG HD3 H 1 3.119 . . . . . . . 42 ARG HD3 . 19368 1 313 . 1 1 31 31 ARG CA C 13 58.702 . . . . . . . 42 ARG CA . 19368 1 314 . 1 1 31 31 ARG CB C 13 30.598 . . . . . . . 42 ARG CB . 19368 1 315 . 1 1 31 31 ARG CG C 13 27.866 . . . . . . . 42 ARG CG . 19368 1 316 . 1 1 31 31 ARG CD C 13 44.320 . . . . . . . 42 ARG CD . 19368 1 317 . 1 1 31 31 ARG N N 15 116.237 . . . . . . . 42 ARG N . 19368 1 318 . 1 1 32 32 GLN H H 1 7.197 . . . . . . . 43 GLN H . 19368 1 319 . 1 1 32 32 GLN HA H 1 4.322 . . . . . . . 43 GLN HA . 19368 1 320 . 1 1 32 32 GLN HB2 H 1 2.309 . . . . . . . 43 GLN HB . 19368 1 321 . 1 1 32 32 GLN HB3 H 1 2.309 . . . . . . . 43 GLN HB . 19368 1 322 . 1 1 32 32 GLN HG2 H 1 2.424 . . . . . . . 43 GLN HG2 . 19368 1 323 . 1 1 32 32 GLN HG3 H 1 2.622 . . . . . . . 43 GLN HG3 . 19368 1 324 . 1 1 32 32 GLN CA C 13 56.009 . . . . . . . 43 GLN CA . 19368 1 325 . 1 1 32 32 GLN CB C 13 28.861 . . . . . . . 43 GLN CB . 19368 1 326 . 1 1 32 32 GLN CG C 13 34.177 . . . . . . . 43 GLN CG . 19368 1 327 . 1 1 32 32 GLN N N 15 114.805 . . . . . . . 43 GLN N . 19368 1 328 . 1 1 33 33 SER H H 1 7.812 . . . . . . . 44 SER H . 19368 1 329 . 1 1 33 33 SER HA H 1 4.900 . . . . . . . 44 SER HA . 19368 1 330 . 1 1 33 33 SER HB2 H 1 4.094 . . . . . . . 44 SER HB2 . 19368 1 331 . 1 1 33 33 SER HB3 H 1 4.125 . . . . . . . 44 SER HB3 . 19368 1 332 . 1 1 33 33 SER CA C 13 57.953 . . . . . . . 44 SER CA . 19368 1 333 . 1 1 33 33 SER CB C 13 63.529 . . . . . . . 44 SER CB . 19368 1 334 . 1 1 33 33 SER N N 15 116.974 . . . . . . . 44 SER N . 19368 1 335 . 1 1 34 34 PRO HA H 1 4.556 . . . . . . . 45 PRO HA . 19368 1 336 . 1 1 34 34 PRO HB2 H 1 2.608 . . . . . . . 45 PRO HB . 19368 1 337 . 1 1 34 34 PRO HB3 H 1 2.608 . . . . . . . 45 PRO HB . 19368 1 338 . 1 1 34 34 PRO HD2 H 1 4.115 . . . . . . . 45 PRO HD . 19368 1 339 . 1 1 34 34 PRO HD3 H 1 4.115 . . . . . . . 45 PRO HD . 19368 1 340 . 1 1 34 34 PRO CA C 13 63.614 . . . . . . . 45 PRO CA . 19368 1 341 . 1 1 34 34 PRO CB C 13 32.203 . . . . . . . 45 PRO CB . 19368 1 342 . 1 1 34 34 PRO CG C 13 28.081 . . . . . . . 45 PRO CG . 19368 1 343 . 1 1 34 34 PRO CD C 13 50.870 . . . . . . . 45 PRO CD . 19368 1 344 . 1 1 35 35 LEU H H 1 9.242 . . . . . . . 46 LEU H . 19368 1 345 . 1 1 35 35 LEU HA H 1 3.903 . . . . . . . 46 LEU HA . 19368 1 346 . 1 1 35 35 LEU HB2 H 1 1.679 . . . . . . . 46 LEU HB . 19368 1 347 . 1 1 35 35 LEU HB3 H 1 1.679 . . . . . . . 46 LEU HB . 19368 1 348 . 1 1 35 35 LEU HG H 1 1.566 . . . . . . . 46 LEU HG . 19368 1 349 . 1 1 35 35 LEU HD11 H 1 0.741 . . . . . . . 46 LEU HD . 19368 1 350 . 1 1 35 35 LEU HD12 H 1 0.741 . . . . . . . 46 LEU HD . 19368 1 351 . 1 1 35 35 LEU HD13 H 1 0.741 . . . . . . . 46 LEU HD . 19368 1 352 . 1 1 35 35 LEU HD21 H 1 0.741 . . . . . . . 46 LEU HD . 19368 1 353 . 1 1 35 35 LEU HD22 H 1 0.741 . . . . . . . 46 LEU HD . 19368 1 354 . 1 1 35 35 LEU HD23 H 1 0.741 . . . . . . . 46 LEU HD . 19368 1 355 . 1 1 35 35 LEU CA C 13 59.419 . . . . . . . 46 LEU CA . 19368 1 356 . 1 1 35 35 LEU CB C 13 42.250 . . . . . . . 46 LEU CB . 19368 1 357 . 1 1 35 35 LEU CG C 13 27.238 . . . . . . . 46 LEU CG . 19368 1 358 . 1 1 35 35 LEU CD1 C 13 24.998 . . . . . . . 46 LEU CD . 19368 1 359 . 1 1 35 35 LEU CD2 C 13 24.998 . . . . . . . 46 LEU CD . 19368 1 360 . 1 1 35 35 LEU N N 15 129.342 . . . . . . . 46 LEU N . 19368 1 361 . 1 1 36 36 ALA H H 1 9.232 . . . . . . . 47 ALA H . 19368 1 362 . 1 1 36 36 ALA HB1 H 1 1.519 . . . . . . . 47 ALA HB . 19368 1 363 . 1 1 36 36 ALA HB2 H 1 1.519 . . . . . . . 47 ALA HB . 19368 1 364 . 1 1 36 36 ALA HB3 H 1 1.519 . . . . . . . 47 ALA HB . 19368 1 365 . 1 1 36 36 ALA CA C 13 55.444 . . . . . . . 47 ALA CA . 19368 1 366 . 1 1 36 36 ALA CB C 13 18.400 . . . . . . . 47 ALA CB . 19368 1 367 . 1 1 36 36 ALA N N 15 118.489 . . . . . . . 47 ALA N . 19368 1 368 . 1 1 37 37 THR H H 1 7.449 . . . . . . . 48 THR H . 19368 1 369 . 1 1 37 37 THR HA H 1 4.306 . . . . . . . 48 THR HA . 19368 1 370 . 1 1 37 37 THR HB H 1 4.509 . . . . . . . 48 THR HB . 19368 1 371 . 1 1 37 37 THR HG21 H 1 1.501 . . . . . . . 48 THR HG2 . 19368 1 372 . 1 1 37 37 THR HG22 H 1 1.501 . . . . . . . 48 THR HG2 . 19368 1 373 . 1 1 37 37 THR HG23 H 1 1.501 . . . . . . . 48 THR HG2 . 19368 1 374 . 1 1 37 37 THR CA C 13 65.746 . . . . . . . 48 THR CA . 19368 1 375 . 1 1 37 37 THR CB C 13 68.802 . . . . . . . 48 THR CB . 19368 1 376 . 1 1 37 37 THR CG2 C 13 22.683 . . . . . . . 48 THR CG . 19368 1 377 . 1 1 37 37 THR N N 15 113.690 . . . . . . . 48 THR N . 19368 1 378 . 1 1 38 38 ARG H H 1 7.862 . . . . . . . 49 ARG H . 19368 1 379 . 1 1 38 38 ARG HA H 1 4.051 . . . . . . . 49 ARG HA . 19368 1 380 . 1 1 38 38 ARG HB2 H 1 1.717 . . . . . . . 49 ARG HB2 . 19368 1 381 . 1 1 38 38 ARG HB3 H 1 2.435 . . . . . . . 49 ARG HB3 . 19368 1 382 . 1 1 38 38 ARG HG2 H 1 1.348 . . . . . . . 49 ARG HG . 19368 1 383 . 1 1 38 38 ARG HG3 H 1 1.348 . . . . . . . 49 ARG HG . 19368 1 384 . 1 1 38 38 ARG HD2 H 1 2.764 . . . . . . . 49 ARG HD2 . 19368 1 385 . 1 1 38 38 ARG HD3 H 1 3.249 . . . . . . . 49 ARG HD3 . 19368 1 386 . 1 1 38 38 ARG CA C 13 60.908 . . . . . . . 49 ARG CA . 19368 1 387 . 1 1 38 38 ARG CB C 13 32.685 . . . . . . . 49 ARG CB . 19368 1 388 . 1 1 38 38 ARG CG C 13 28.577 . . . . . . . 49 ARG CG . 19368 1 389 . 1 1 38 38 ARG CD C 13 44.384 . . . . . . . 49 ARG CD . 19368 1 390 . 1 1 38 38 ARG N N 15 123.102 . . . . . . . 49 ARG N . 19368 1 391 . 1 1 39 39 ARG H H 1 8.460 . . . . . . . 50 ARG H . 19368 1 392 . 1 1 39 39 ARG HA H 1 3.969 . . . . . . . 50 ARG HA . 19368 1 393 . 1 1 39 39 ARG HB2 H 1 1.977 . . . . . . . 50 ARG HB . 19368 1 394 . 1 1 39 39 ARG HB3 H 1 1.977 . . . . . . . 50 ARG HB . 19368 1 395 . 1 1 39 39 ARG HG2 H 1 1.544 . . . . . . . 50 ARG HG2 . 19368 1 396 . 1 1 39 39 ARG HG3 H 1 1.733 . . . . . . . 50 ARG HG3 . 19368 1 397 . 1 1 39 39 ARG HD2 H 1 3.098 . . . . . . . 50 ARG HD2 . 19368 1 398 . 1 1 39 39 ARG HD3 H 1 3.241 . . . . . . . 50 ARG HD3 . 19368 1 399 . 1 1 39 39 ARG CA C 13 60.887 . . . . . . . 50 ARG CA . 19368 1 400 . 1 1 39 39 ARG CB C 13 30.581 . . . . . . . 50 ARG CB . 19368 1 401 . 1 1 39 39 ARG CG C 13 28.953 . . . . . . . 50 ARG CG . 19368 1 402 . 1 1 39 39 ARG CD C 13 42.774 . . . . . . . 50 ARG CD . 19368 1 403 . 1 1 39 39 ARG N N 15 116.847 . . . . . . . 50 ARG N . 19368 1 404 . 1 1 40 40 ALA H H 1 8.209 . . . . . . . 51 ALA H . 19368 1 405 . 1 1 40 40 ALA HA H 1 4.152 . . . . . . . 51 ALA HA . 19368 1 406 . 1 1 40 40 ALA HB1 H 1 1.651 . . . . . . . 51 ALA HB . 19368 1 407 . 1 1 40 40 ALA HB2 H 1 1.651 . . . . . . . 51 ALA HB . 19368 1 408 . 1 1 40 40 ALA HB3 H 1 1.651 . . . . . . . 51 ALA HB . 19368 1 409 . 1 1 40 40 ALA CA C 13 55.198 . . . . . . . 51 ALA CA . 19368 1 410 . 1 1 40 40 ALA CB C 13 18.244 . . . . . . . 51 ALA CB . 19368 1 411 . 1 1 40 40 ALA N N 15 119.201 . . . . . . . 51 ALA N . 19368 1 412 . 1 1 41 41 PHE H H 1 8.098 . . . . . . . 52 PHE H . 19368 1 413 . 1 1 41 41 PHE HA H 1 4.460 . . . . . . . 52 PHE HA . 19368 1 414 . 1 1 41 41 PHE HB2 H 1 3.152 . . . . . . . 52 PHE HB2 . 19368 1 415 . 1 1 41 41 PHE HB3 H 1 3.763 . . . . . . . 52 PHE HB3 . 19368 1 416 . 1 1 41 41 PHE CA C 13 61.527 . . . . . . . 52 PHE CA . 19368 1 417 . 1 1 41 41 PHE CB C 13 39.962 . . . . . . . 52 PHE CB . 19368 1 418 . 1 1 41 41 PHE N N 15 119.265 . . . . . . . 52 PHE N . 19368 1 419 . 1 1 42 42 LEU H H 1 7.555 . . . . . . . 53 LEU H . 19368 1 420 . 1 1 42 42 LEU HA H 1 3.683 . . . . . . . 53 LEU HA . 19368 1 421 . 1 1 42 42 LEU HB2 H 1 1.272 . . . . . . . 53 LEU HB2 . 19368 1 422 . 1 1 42 42 LEU HB3 H 1 2.017 . . . . . . . 53 LEU HB3 . 19368 1 423 . 1 1 42 42 LEU HG H 1 1.318 . . . . . . . 53 LEU HG . 19368 1 424 . 1 1 42 42 LEU HD11 H 1 0.572 . . . . . . . 53 LEU HD . 19368 1 425 . 1 1 42 42 LEU HD12 H 1 0.572 . . . . . . . 53 LEU HD . 19368 1 426 . 1 1 42 42 LEU HD13 H 1 0.572 . . . . . . . 53 LEU HD . 19368 1 427 . 1 1 42 42 LEU HD21 H 1 0.572 . . . . . . . 53 LEU HD . 19368 1 428 . 1 1 42 42 LEU HD22 H 1 0.572 . . . . . . . 53 LEU HD . 19368 1 429 . 1 1 42 42 LEU HD23 H 1 0.572 . . . . . . . 53 LEU HD . 19368 1 430 . 1 1 42 42 LEU CA C 13 57.655 . . . . . . . 53 LEU CA . 19368 1 431 . 1 1 42 42 LEU CB C 13 41.293 . . . . . . . 53 LEU CB . 19368 1 432 . 1 1 42 42 LEU CG C 13 26.653 . . . . . . . 53 LEU CG . 19368 1 433 . 1 1 42 42 LEU CD1 C 13 20.950 . . . . . . . 53 LEU CD . 19368 1 434 . 1 1 42 42 LEU CD2 C 13 20.950 . . . . . . . 53 LEU CD . 19368 1 435 . 1 1 42 42 LEU N N 15 117.210 . . . . . . . 53 LEU N . 19368 1 436 . 1 1 43 43 LYS H H 1 8.204 . . . . . . . 54 LYS H . 19368 1 437 . 1 1 43 43 LYS HA H 1 4.303 . . . . . . . 54 LYS HA . 19368 1 438 . 1 1 43 43 LYS HB2 H 1 1.823 . . . . . . . 54 LYS HB2 . 19368 1 439 . 1 1 43 43 LYS HB3 H 1 1.911 . . . . . . . 54 LYS HB3 . 19368 1 440 . 1 1 43 43 LYS HG2 H 1 1.427 . . . . . . . 54 LYS HG2 . 19368 1 441 . 1 1 43 43 LYS HG3 H 1 1.551 . . . . . . . 54 LYS HG3 . 19368 1 442 . 1 1 43 43 LYS HD2 H 1 1.657 . . . . . . . 54 LYS HD2 . 19368 1 443 . 1 1 43 43 LYS HD3 H 1 1.784 . . . . . . . 54 LYS HD3 . 19368 1 444 . 1 1 43 43 LYS HE2 H 1 2.964 . . . . . . . 54 LYS HE . 19368 1 445 . 1 1 43 43 LYS HE3 H 1 2.964 . . . . . . . 54 LYS HE . 19368 1 446 . 1 1 43 43 LYS CA C 13 58.656 . . . . . . . 54 LYS CA . 19368 1 447 . 1 1 43 43 LYS CB C 13 31.254 . . . . . . . 54 LYS CB . 19368 1 448 . 1 1 43 43 LYS CG C 13 24.164 . . . . . . . 54 LYS CG . 19368 1 449 . 1 1 43 43 LYS CD C 13 28.233 . . . . . . . 54 LYS CD . 19368 1 450 . 1 1 43 43 LYS CE C 13 41.662 . . . . . . . 54 LYS CE . 19368 1 451 . 1 1 43 43 LYS N N 15 120.021 . . . . . . . 54 LYS N . 19368 1 452 . 1 1 44 44 LYS H H 1 8.018 . . . . . . . 55 LYS H . 19368 1 453 . 1 1 44 44 LYS HA H 1 4.028 . . . . . . . 55 LYS HA . 19368 1 454 . 1 1 44 44 LYS HG2 H 1 1.351 . . . . . . . 55 LYS HG2 . 19368 1 455 . 1 1 44 44 LYS HG3 H 1 1.535 . . . . . . . 55 LYS HG3 . 19368 1 456 . 1 1 44 44 LYS HD2 H 1 1.685 . . . . . . . 55 LYS HD2 . 19368 1 457 . 1 1 44 44 LYS HD3 H 1 1.753 . . . . . . . 55 LYS HD3 . 19368 1 458 . 1 1 44 44 LYS HE2 H 1 2.979 . . . . . . . 55 LYS HE . 19368 1 459 . 1 1 44 44 LYS HE3 H 1 2.979 . . . . . . . 55 LYS HE . 19368 1 460 . 1 1 44 44 LYS CA C 13 59.275 . . . . . . . 55 LYS CA . 19368 1 461 . 1 1 44 44 LYS CB C 13 31.694 . . . . . . . 55 LYS CB . 19368 1 462 . 1 1 44 44 LYS CG C 13 25.141 . . . . . . . 55 LYS CG . 19368 1 463 . 1 1 44 44 LYS CD C 13 29.817 . . . . . . . 55 LYS CD . 19368 1 464 . 1 1 44 44 LYS CE C 13 42.076 . . . . . . . 55 LYS CE . 19368 1 465 . 1 1 44 44 LYS N N 15 123.731 . . . . . . . 55 LYS N . 19368 1 466 . 1 1 45 45 LYS H H 1 7.383 . . . . . . . 56 LYS H . 19368 1 467 . 1 1 45 45 LYS HA H 1 4.059 . . . . . . . 56 LYS HA . 19368 1 468 . 1 1 45 45 LYS HB2 H 1 1.544 . . . . . . . 56 LYS HB2 . 19368 1 469 . 1 1 45 45 LYS HB3 H 1 1.766 . . . . . . . 56 LYS HB3 . 19368 1 470 . 1 1 45 45 LYS HG2 H 1 0.513 . . . . . . . 56 LYS HG2 . 19368 1 471 . 1 1 45 45 LYS HG3 H 1 0.733 . . . . . . . 56 LYS HG3 . 19368 1 472 . 1 1 45 45 LYS HD2 H 1 1.199 . . . . . . . 56 LYS HD2 . 19368 1 473 . 1 1 45 45 LYS HD3 H 1 1.305 . . . . . . . 56 LYS HD3 . 19368 1 474 . 1 1 45 45 LYS HE2 H 1 2.359 . . . . . . . 56 LYS HE2 . 19368 1 475 . 1 1 45 45 LYS HE3 H 1 2.681 . . . . . . . 56 LYS HE3 . 19368 1 476 . 1 1 45 45 LYS CA C 13 53.852 . . . . . . . 56 LYS CA . 19368 1 477 . 1 1 45 45 LYS CB C 13 29.293 . . . . . . . 56 LYS CB . 19368 1 478 . 1 1 45 45 LYS CG C 13 22.369 . . . . . . . 56 LYS CG . 19368 1 479 . 1 1 45 45 LYS CD C 13 26.050 . . . . . . . 56 LYS CD . 19368 1 480 . 1 1 45 45 LYS CE C 13 41.453 . . . . . . . 56 LYS CE . 19368 1 481 . 1 1 45 45 LYS N N 15 115.496 . . . . . . . 56 LYS N . 19368 1 482 . 1 1 46 46 GLY H H 1 7.651 . . . . . . . 57 GLY H . 19368 1 483 . 1 1 46 46 GLY HA2 H 1 3.667 . . . . . . . 57 GLY HA2 . 19368 1 484 . 1 1 46 46 GLY HA3 H 1 4.285 . . . . . . . 57 GLY HA3 . 19368 1 485 . 1 1 46 46 GLY CA C 13 45.335 . . . . . . . 57 GLY CA . 19368 1 486 . 1 1 46 46 GLY N N 15 105.555 . . . . . . . 57 GLY N . 19368 1 487 . 1 1 47 47 LEU H H 1 7.618 . . . . . . . 58 LEU H . 19368 1 488 . 1 1 47 47 LEU HA H 1 4.438 . . . . . . . 58 LEU HA . 19368 1 489 . 1 1 47 47 LEU HB2 H 1 1.187 . . . . . . . 58 LEU HB2 . 19368 1 490 . 1 1 47 47 LEU HB3 H 1 1.853 . . . . . . . 58 LEU HB3 . 19368 1 491 . 1 1 47 47 LEU HG H 1 1.650 . . . . . . . 58 LEU HG . 19368 1 492 . 1 1 47 47 LEU HD11 H 1 0.647 . . . . . . . 58 LEU HD1 . 19368 1 493 . 1 1 47 47 LEU HD12 H 1 0.647 . . . . . . . 58 LEU HD1 . 19368 1 494 . 1 1 47 47 LEU HD13 H 1 0.647 . . . . . . . 58 LEU HD1 . 19368 1 495 . 1 1 47 47 LEU HD21 H 1 0.755 . . . . . . . 58 LEU HD2 . 19368 1 496 . 1 1 47 47 LEU HD22 H 1 0.755 . . . . . . . 58 LEU HD2 . 19368 1 497 . 1 1 47 47 LEU HD23 H 1 0.755 . . . . . . . 58 LEU HD2 . 19368 1 498 . 1 1 47 47 LEU CA C 13 57.479 . . . . . . . 58 LEU CA . 19368 1 499 . 1 1 47 47 LEU CB C 13 42.304 . . . . . . . 58 LEU CB . 19368 1 500 . 1 1 47 47 LEU CG C 13 31.401 . . . . . . . 58 LEU CG . 19368 1 501 . 1 1 47 47 LEU CD1 C 13 26.263 . . . . . . . 58 LEU CD1 . 19368 1 502 . 1 1 47 47 LEU CD2 C 13 24.297 . . . . . . . 58 LEU CD2 . 19368 1 503 . 1 1 47 47 LEU N N 15 122.950 . . . . . . . 58 LEU N . 19368 1 504 . 1 1 48 48 THR H H 1 9.207 . . . . . . . 59 THR H . 19368 1 505 . 1 1 48 48 THR HA H 1 4.340 . . . . . . . 59 THR HA . 19368 1 506 . 1 1 48 48 THR HB H 1 4.733 . . . . . . . 59 THR HB . 19368 1 507 . 1 1 48 48 THR HG21 H 1 1.274 . . . . . . . 59 THR HG2 . 19368 1 508 . 1 1 48 48 THR HG22 H 1 1.274 . . . . . . . 59 THR HG2 . 19368 1 509 . 1 1 48 48 THR HG23 H 1 1.274 . . . . . . . 59 THR HG2 . 19368 1 510 . 1 1 48 48 THR CA C 13 60.292 . . . . . . . 59 THR CA . 19368 1 511 . 1 1 48 48 THR CB C 13 70.884 . . . . . . . 59 THR CB . 19368 1 512 . 1 1 48 48 THR CG2 C 13 21.670 . . . . . . . 59 THR CG . 19368 1 513 . 1 1 48 48 THR N N 15 112.790 . . . . . . . 59 THR N . 19368 1 514 . 1 1 49 49 ASP H H 1 8.911 . . . . . . . 60 ASP H . 19368 1 515 . 1 1 49 49 ASP HA H 1 4.239 . . . . . . . 60 ASP HA . 19368 1 516 . 1 1 49 49 ASP HB2 H 1 2.520 . . . . . . . 60 ASP HB2 . 19368 1 517 . 1 1 49 49 ASP CA C 13 58.772 . . . . . . . 60 ASP CA . 19368 1 518 . 1 1 49 49 ASP CB C 13 40.224 . . . . . . . 60 ASP CB . 19368 1 519 . 1 1 49 49 ASP N N 15 120.317 . . . . . . . 60 ASP N . 19368 1 520 . 1 1 50 50 GLU H H 1 8.430 . . . . . . . 61 GLU H . 19368 1 521 . 1 1 50 50 GLU HA H 1 4.111 . . . . . . . 61 GLU HA . 19368 1 522 . 1 1 50 50 GLU HB2 H 1 1.893 . . . . . . . 61 GLU HB2 . 19368 1 523 . 1 1 50 50 GLU HB3 H 1 2.059 . . . . . . . 61 GLU HB3 . 19368 1 524 . 1 1 50 50 GLU HG2 H 1 2.309 . . . . . . . 61 GLU HG . 19368 1 525 . 1 1 50 50 GLU HG3 H 1 2.309 . . . . . . . 61 GLU HG . 19368 1 526 . 1 1 50 50 GLU CA C 13 59.942 . . . . . . . 61 GLU CA . 19368 1 527 . 1 1 50 50 GLU CB C 13 29.644 . . . . . . . 61 GLU CB . 19368 1 528 . 1 1 50 50 GLU CG C 13 36.672 . . . . . . . 61 GLU CG . 19368 1 529 . 1 1 50 50 GLU N N 15 118.753 . . . . . . . 61 GLU N . 19368 1 530 . 1 1 51 51 GLU H H 1 7.833 . . . . . . . 62 GLU H . 19368 1 531 . 1 1 51 51 GLU HA H 1 3.845 . . . . . . . 62 GLU HA . 19368 1 532 . 1 1 51 51 GLU HB2 H 1 1.661 . . . . . . . 62 GLU HB2 . 19368 1 533 . 1 1 51 51 GLU HB3 H 1 2.513 . . . . . . . 62 GLU HB3 . 19368 1 534 . 1 1 51 51 GLU HG2 H 1 2.176 . . . . . . . 62 GLU HG2 . 19368 1 535 . 1 1 51 51 GLU HG3 H 1 2.462 . . . . . . . 62 GLU HG3 . 19368 1 536 . 1 1 51 51 GLU CA C 13 59.256 . . . . . . . 62 GLU CA . 19368 1 537 . 1 1 51 51 GLU CB C 13 29.923 . . . . . . . 62 GLU CB . 19368 1 538 . 1 1 51 51 GLU CG C 13 37.744 . . . . . . . 62 GLU CG . 19368 1 539 . 1 1 51 51 GLU N N 15 119.943 . . . . . . . 62 GLU N . 19368 1 540 . 1 1 52 52 ILE H H 1 8.585 . . . . . . . 63 ILE H . 19368 1 541 . 1 1 52 52 ILE HA H 1 3.322 . . . . . . . 63 ILE HA . 19368 1 542 . 1 1 52 52 ILE HB H 1 1.905 . . . . . . . 63 ILE HB . 19368 1 543 . 1 1 52 52 ILE HG12 H 1 0.569 . . . . . . . 63 ILE HG12 . 19368 1 544 . 1 1 52 52 ILE HG13 H 1 1.933 . . . . . . . 63 ILE HG13 . 19368 1 545 . 1 1 52 52 ILE HG21 H 1 0.875 . . . . . . . 63 ILE HG2 . 19368 1 546 . 1 1 52 52 ILE HG22 H 1 0.875 . . . . . . . 63 ILE HG2 . 19368 1 547 . 1 1 52 52 ILE HG23 H 1 0.875 . . . . . . . 63 ILE HG2 . 19368 1 548 . 1 1 52 52 ILE HD11 H 1 0.708 . . . . . . . 63 ILE HD1 . 19368 1 549 . 1 1 52 52 ILE HD12 H 1 0.708 . . . . . . . 63 ILE HD1 . 19368 1 550 . 1 1 52 52 ILE HD13 H 1 0.708 . . . . . . . 63 ILE HD1 . 19368 1 551 . 1 1 52 52 ILE CA C 13 66.400 . . . . . . . 63 ILE CA . 19368 1 552 . 1 1 52 52 ILE CB C 13 38.373 . . . . . . . 63 ILE CB . 19368 1 553 . 1 1 52 52 ILE CG1 C 13 30.922 . . . . . . . 63 ILE CG1 . 19368 1 554 . 1 1 52 52 ILE CG2 C 13 18.506 . . . . . . . 63 ILE CG2 . 19368 1 555 . 1 1 52 52 ILE CD1 C 13 14.407 . . . . . . . 63 ILE CD1 . 19368 1 556 . 1 1 52 52 ILE N N 15 119.973 . . . . . . . 63 ILE N . 19368 1 557 . 1 1 53 53 ASP H H 1 8.550 . . . . . . . 64 ASP H . 19368 1 558 . 1 1 53 53 ASP HA H 1 4.450 . . . . . . . 64 ASP HA . 19368 1 559 . 1 1 53 53 ASP HB2 H 1 2.698 . . . . . . . 64 ASP HB2 . 19368 1 560 . 1 1 53 53 ASP HB3 H 1 2.847 . . . . . . . 64 ASP HB3 . 19368 1 561 . 1 1 53 53 ASP CA C 13 58.199 . . . . . . . 64 ASP CA . 19368 1 562 . 1 1 53 53 ASP CB C 13 39.901 . . . . . . . 64 ASP CB . 19368 1 563 . 1 1 53 53 ASP N N 15 120.819 . . . . . . . 64 ASP N . 19368 1 564 . 1 1 54 54 MET H H 1 8.139 . . . . . . . 65 MET H . 19368 1 565 . 1 1 54 54 MET HA H 1 4.153 . . . . . . . 65 MET HA . 19368 1 566 . 1 1 54 54 MET HB2 H 1 2.856 . . . . . . . 65 MET HB . 19368 1 567 . 1 1 54 54 MET HB3 H 1 2.856 . . . . . . . 65 MET HB . 19368 1 568 . 1 1 54 54 MET CA C 13 59.418 . . . . . . . 65 MET CA . 19368 1 569 . 1 1 54 54 MET CB C 13 32.828 . . . . . . . 65 MET CB . 19368 1 570 . 1 1 54 54 MET N N 15 120.055 . . . . . . . 65 MET N . 19368 1 571 . 1 1 55 55 ALA H H 1 8.599 . . . . . . . 66 ALA H . 19368 1 572 . 1 1 55 55 ALA HA H 1 3.938 . . . . . . . 66 ALA HA . 19368 1 573 . 1 1 55 55 ALA HB1 H 1 1.318 . . . . . . . 66 ALA HB . 19368 1 574 . 1 1 55 55 ALA HB2 H 1 1.318 . . . . . . . 66 ALA HB . 19368 1 575 . 1 1 55 55 ALA HB3 H 1 1.318 . . . . . . . 66 ALA HB . 19368 1 576 . 1 1 55 55 ALA CA C 13 54.549 . . . . . . . 66 ALA CA . 19368 1 577 . 1 1 55 55 ALA CB C 13 17.990 . . . . . . . 66 ALA CB . 19368 1 578 . 1 1 55 55 ALA N N 15 122.648 . . . . . . . 66 ALA N . 19368 1 579 . 1 1 56 56 PHE H H 1 9.210 . . . . . . . 67 PHE H . 19368 1 580 . 1 1 56 56 PHE HA H 1 3.976 . . . . . . . 67 PHE HA . 19368 1 581 . 1 1 56 56 PHE HB2 H 1 3.051 . . . . . . . 67 PHE HB2 . 19368 1 582 . 1 1 56 56 PHE HB3 H 1 3.333 . . . . . . . 67 PHE HB3 . 19368 1 583 . 1 1 56 56 PHE CA C 13 62.497 . . . . . . . 67 PHE CA . 19368 1 584 . 1 1 56 56 PHE CB C 13 38.231 . . . . . . . 67 PHE CB . 19368 1 585 . 1 1 56 56 PHE N N 15 119.756 . . . . . . . 67 PHE N . 19368 1 586 . 1 1 57 57 GLN H H 1 8.348 . . . . . . . 68 GLN H . 19368 1 587 . 1 1 57 57 GLN HA H 1 4.115 . . . . . . . 68 GLN HA . 19368 1 588 . 1 1 57 57 GLN HB2 H 1 2.299 . . . . . . . 68 GLN HB . 19368 1 589 . 1 1 57 57 GLN HB3 H 1 2.299 . . . . . . . 68 GLN HB . 19368 1 590 . 1 1 57 57 GLN HG2 H 1 2.462 . . . . . . . 68 GLN HG2 . 19368 1 591 . 1 1 57 57 GLN HG3 H 1 2.554 . . . . . . . 68 GLN HG3 . 19368 1 592 . 1 1 57 57 GLN CA C 13 59.544 . . . . . . . 68 GLN CA . 19368 1 593 . 1 1 57 57 GLN CB C 13 28.391 . . . . . . . 68 GLN CB . 19368 1 594 . 1 1 57 57 GLN CG C 13 33.639 . . . . . . . 68 GLN CG . 19368 1 595 . 1 1 57 57 GLN N N 15 120.555 . . . . . . . 68 GLN N . 19368 1 596 . 1 1 58 58 GLN H H 1 8.701 . . . . . . . 69 GLN H . 19368 1 597 . 1 1 58 58 GLN HA H 1 4.120 . . . . . . . 69 GLN HA . 19368 1 598 . 1 1 58 58 GLN HB2 H 1 2.132 . . . . . . . 69 GLN HB . 19368 1 599 . 1 1 58 58 GLN HB3 H 1 2.132 . . . . . . . 69 GLN HB . 19368 1 600 . 1 1 58 58 GLN HG2 H 1 2.401 . . . . . . . 69 GLN HG2 . 19368 1 601 . 1 1 58 58 GLN HG3 H 1 2.639 . . . . . . . 69 GLN HG3 . 19368 1 602 . 1 1 58 58 GLN CA C 13 58.284 . . . . . . . 69 GLN CA . 19368 1 603 . 1 1 58 58 GLN CB C 13 29.278 . . . . . . . 69 GLN CB . 19368 1 604 . 1 1 58 58 GLN CG C 13 34.595 . . . . . . . 69 GLN CG . 19368 1 605 . 1 1 58 58 GLN N N 15 117.927 . . . . . . . 69 GLN N . 19368 1 606 . 1 1 59 59 SER H H 1 8.106 . . . . . . . 70 SER H . 19368 1 607 . 1 1 59 59 SER HA H 1 4.301 . . . . . . . 70 SER HA . 19368 1 608 . 1 1 59 59 SER HB2 H 1 3.906 . . . . . . . 70 SER HB2 . 19368 1 609 . 1 1 59 59 SER HB3 H 1 4.152 . . . . . . . 70 SER HB3 . 19368 1 610 . 1 1 59 59 SER CA C 13 59.549 . . . . . . . 70 SER CA . 19368 1 611 . 1 1 59 59 SER CB C 13 64.818 . . . . . . . 70 SER CB . 19368 1 612 . 1 1 59 59 SER N N 15 110.847 . . . . . . . 70 SER N . 19368 1 613 . 1 1 60 60 GLY H H 1 7.683 . . . . . . . 71 GLY H . 19368 1 614 . 1 1 60 60 GLY HA2 H 1 4.106 . . . . . . . 71 GLY HA2 . 19368 1 615 . 1 1 60 60 GLY HA3 H 1 4.127 . . . . . . . 71 GLY HA3 . 19368 1 616 . 1 1 60 60 GLY CA C 13 46.562 . . . . . . . 71 GLY CA . 19368 1 617 . 1 1 60 60 GLY N N 15 110.584 . . . . . . . 71 GLY N . 19368 1 618 . 1 1 61 61 THR H H 1 7.927 . . . . . . . 72 THR H . 19368 1 619 . 1 1 61 61 THR HA H 1 4.375 . . . . . . . 72 THR HA . 19368 1 620 . 1 1 61 61 THR HB H 1 4.262 . . . . . . . 72 THR HB . 19368 1 621 . 1 1 61 61 THR HG21 H 1 0.965 . . . . . . . 72 THR HG2 . 19368 1 622 . 1 1 61 61 THR HG22 H 1 0.965 . . . . . . . 72 THR HG2 . 19368 1 623 . 1 1 61 61 THR HG23 H 1 0.965 . . . . . . . 72 THR HG2 . 19368 1 624 . 1 1 61 61 THR CA C 13 62.276 . . . . . . . 72 THR CA . 19368 1 625 . 1 1 61 61 THR CB C 13 69.800 . . . . . . . 72 THR CB . 19368 1 626 . 1 1 61 61 THR CG2 C 13 21.080 . . . . . . . 72 THR CG . 19368 1 627 . 1 1 61 61 THR N N 15 111.244 . . . . . . . 72 THR N . 19368 1 628 . 1 1 62 62 ALA H H 1 8.308 . . . . . . . 73 ALA H . 19368 1 629 . 1 1 62 62 ALA HA H 1 4.230 . . . . . . . 73 ALA HA . 19368 1 630 . 1 1 62 62 ALA HB1 H 1 1.359 . . . . . . . 73 ALA HB . 19368 1 631 . 1 1 62 62 ALA HB2 H 1 1.359 . . . . . . . 73 ALA HB . 19368 1 632 . 1 1 62 62 ALA HB3 H 1 1.359 . . . . . . . 73 ALA HB . 19368 1 633 . 1 1 62 62 ALA CA C 13 53.124 . . . . . . . 73 ALA CA . 19368 1 634 . 1 1 62 62 ALA CB C 13 19.242 . . . . . . . 73 ALA CB . 19368 1 635 . 1 1 62 62 ALA N N 15 126.006 . . . . . . . 73 ALA N . 19368 1 636 . 1 1 63 63 ALA H H 1 8.095 . . . . . . . 74 ALA H . 19368 1 637 . 1 1 63 63 ALA CA C 13 52.221 . . . . . . . 74 ALA CA . 19368 1 638 . 1 1 63 63 ALA CB C 13 19.253 . . . . . . . 74 ALA CB . 19368 1 639 . 1 1 63 63 ALA N N 15 121.326 . . . . . . . 74 ALA N . 19368 1 640 . 1 1 64 64 ASP H H 1 8.039 . . . . . . . 75 ASP H . 19368 1 641 . 1 1 64 64 ASP HA H 1 4.576 . . . . . . . 75 ASP HA . 19368 1 642 . 1 1 64 64 ASP HB2 H 1 2.622 . . . . . . . 75 ASP HB2 . 19368 1 643 . 1 1 64 64 ASP HB3 H 1 2.708 . . . . . . . 75 ASP HB3 . 19368 1 644 . 1 1 64 64 ASP CA C 13 54.403 . . . . . . . 75 ASP CA . 19368 1 645 . 1 1 64 64 ASP CB C 13 41.273 . . . . . . . 75 ASP CB . 19368 1 646 . 1 1 64 64 ASP N N 15 119.168 . . . . . . . 75 ASP N . 19368 1 647 . 1 1 65 65 GLU H H 1 8.168 . . . . . . . 76 GLU H . 19368 1 648 . 1 1 65 65 GLU HA H 1 4.639 . . . . . . . 76 GLU HA . 19368 1 649 . 1 1 65 65 GLU HB2 H 1 1.914 . . . . . . . 76 GLU HB2 . 19368 1 650 . 1 1 65 65 GLU HB3 H 1 2.061 . . . . . . . 76 GLU HB3 . 19368 1 651 . 1 1 65 65 GLU HG2 H 1 2.294 . . . . . . . 76 GLU HG . 19368 1 652 . 1 1 65 65 GLU HG3 H 1 2.294 . . . . . . . 76 GLU HG . 19368 1 653 . 1 1 65 65 GLU CA C 13 54.238 . . . . . . . 76 GLU CA . 19368 1 654 . 1 1 65 65 GLU CB C 13 30.063 . . . . . . . 76 GLU CB . 19368 1 655 . 1 1 65 65 GLU CG C 13 35.931 . . . . . . . 76 GLU CG . 19368 1 656 . 1 1 65 65 GLU N N 15 121.765 . . . . . . . 76 GLU N . 19368 1 657 . 1 1 66 66 PRO HA H 1 4.424 . . . . . . . 77 PRO HA . 19368 1 658 . 1 1 66 66 PRO HB2 H 1 1.944 . . . . . . . 77 PRO HB2 . 19368 1 659 . 1 1 66 66 PRO HB3 H 1 2.313 . . . . . . . 77 PRO HB3 . 19368 1 660 . 1 1 66 66 PRO HG2 H 1 2.028 . . . . . . . 77 PRO HG . 19368 1 661 . 1 1 66 66 PRO HG3 H 1 2.028 . . . . . . . 77 PRO HG . 19368 1 662 . 1 1 66 66 PRO HD2 H 1 3.796 . . . . . . . 77 PRO HD . 19368 1 663 . 1 1 66 66 PRO HD3 H 1 3.796 . . . . . . . 77 PRO HD . 19368 1 664 . 1 1 66 66 PRO CA C 13 63.474 . . . . . . . 77 PRO CA . 19368 1 665 . 1 1 66 66 PRO CB C 13 32.103 . . . . . . . 77 PRO CB . 19368 1 666 . 1 1 66 66 PRO CG C 13 27.380 . . . . . . . 77 PRO CG . 19368 1 667 . 1 1 66 66 PRO CD C 13 50.722 . . . . . . . 77 PRO CD . 19368 1 668 . 1 1 67 67 SER H H 1 8.331 . . . . . . . 78 SER H . 19368 1 669 . 1 1 67 67 SER HA H 1 4.274 . . . . . . . 78 SER HA . 19368 1 670 . 1 1 67 67 SER HB2 H 1 3.740 . . . . . . . 78 SER HB . 19368 1 671 . 1 1 67 67 SER HB3 H 1 3.740 . . . . . . . 78 SER HB . 19368 1 672 . 1 1 67 67 SER CA C 13 58.468 . . . . . . . 78 SER CA . 19368 1 673 . 1 1 67 67 SER CB C 13 63.797 . . . . . . . 78 SER CB . 19368 1 674 . 1 1 67 67 SER N N 15 115.526 . . . . . . . 78 SER N . 19368 1 675 . 1 1 68 68 SER H H 1 8.234 . . . . . . . 79 SER H . 19368 1 676 . 1 1 68 68 SER HA H 1 4.403 . . . . . . . 79 SER HA . 19368 1 677 . 1 1 68 68 SER HB2 H 1 3.799 . . . . . . . 79 SER HB . 19368 1 678 . 1 1 68 68 SER HB3 H 1 3.799 . . . . . . . 79 SER HB . 19368 1 679 . 1 1 68 68 SER CA C 13 58.375 . . . . . . . 79 SER CA . 19368 1 680 . 1 1 68 68 SER CB C 13 63.780 . . . . . . . 79 SER CB . 19368 1 681 . 1 1 68 68 SER N N 15 117.616 . . . . . . . 79 SER N . 19368 1 682 . 1 1 69 69 LEU H H 1 8.031 . . . . . . . 80 LEU H . 19368 1 683 . 1 1 69 69 LEU HA H 1 4.267 . . . . . . . 80 LEU HA . 19368 1 684 . 1 1 69 69 LEU HB2 H 1 1.389 . . . . . . . 80 LEU HB . 19368 1 685 . 1 1 69 69 LEU HB3 H 1 1.389 . . . . . . . 80 LEU HB . 19368 1 686 . 1 1 69 69 LEU HG H 1 1.487 . . . . . . . 80 LEU HG . 19368 1 687 . 1 1 69 69 LEU HD11 H 1 0.846 . . . . . . . 80 LEU HD1 . 19368 1 688 . 1 1 69 69 LEU HD12 H 1 0.846 . . . . . . . 80 LEU HD1 . 19368 1 689 . 1 1 69 69 LEU HD13 H 1 0.846 . . . . . . . 80 LEU HD1 . 19368 1 690 . 1 1 69 69 LEU HD21 H 1 0.781 . . . . . . . 80 LEU HD2 . 19368 1 691 . 1 1 69 69 LEU HD22 H 1 0.781 . . . . . . . 80 LEU HD2 . 19368 1 692 . 1 1 69 69 LEU HD23 H 1 0.781 . . . . . . . 80 LEU HD2 . 19368 1 693 . 1 1 69 69 LEU CA C 13 55.325 . . . . . . . 80 LEU CA . 19368 1 694 . 1 1 69 69 LEU CB C 13 42.355 . . . . . . . 80 LEU CB . 19368 1 695 . 1 1 69 69 LEU CG C 13 26.849 . . . . . . . 80 LEU CG . 19368 1 696 . 1 1 69 69 LEU CD1 C 13 25.003 . . . . . . . 80 LEU CD1 . 19368 1 697 . 1 1 69 69 LEU CD2 C 13 23.203 . . . . . . . 80 LEU CD2 . 19368 1 698 . 1 1 69 69 LEU N N 15 123.677 . . . . . . . 80 LEU N . 19368 1 699 . 2 2 1 1 ALA H H 1 8.663 . . 1 . 1 . . 57 ALA H . 19368 1 700 . 2 2 1 1 ALA HA H 1 4.447 . . 1 . 2 . . 57 ALA HA . 19368 1 701 . 2 2 1 1 ALA HB1 H 1 1.419 . . 1 . 3 . . 57 ALA HB1 . 19368 1 702 . 2 2 1 1 ALA HB2 H 1 1.419 . . 1 . 3 . . 57 ALA HB2 . 19368 1 703 . 2 2 1 1 ALA HB3 H 1 1.419 . . 1 . 3 . . 57 ALA HB3 . 19368 1 704 . 2 2 2 2 SER H H 1 8.573 . . 1 . 4 . . 58 SER H . 19368 1 705 . 2 2 2 2 SER HA H 1 4.475 . . 1 . 5 . . 58 SER HA . 19368 1 706 . 2 2 2 2 SER HB2 H 1 3.983 . . 2 . 6 . . 58 SER HB2 . 19368 1 707 . 2 2 2 2 SER HB3 H 1 4.158 . . 2 . 7 . . 58 SER HB3 . 19368 1 708 . 2 2 3 3 GLU H H 1 9.755 . . 1 . 8 . . 59 GLU H . 19368 1 709 . 2 2 3 3 GLU HA H 1 4.106 . . 1 . 9 . . 59 GLU HA . 19368 1 710 . 2 2 4 4 ASP H H 1 8.168 . . 1 . 12 . . 60 ASP H . 19368 1 711 . 2 2 4 4 ASP HA H 1 4.445 . . 1 . 13 . . 60 ASP HA . 19368 1 712 . 2 2 5 5 GLU H H 1 7.994 . . 1 . 15 . . 61 GLU H . 19368 1 713 . 2 2 5 5 GLU HA H 1 4.149 . . 1 . 16 . . 61 GLU HA . 19368 1 714 . 2 2 6 6 LEU H H 1 8.063 . . 1 . 19 . . 62 LEU H . 19368 1 715 . 2 2 6 6 LEU HA H 1 4.296 . . 1 . 20 . . 62 LEU HA . 19368 1 716 . 2 2 6 6 LEU HB2 H 1 1.749 . . 2 . 21 . . 62 LEU HB2 . 19368 1 717 . 2 2 6 6 LEU HB3 H 1 2.018 . . 2 . 22 . . 62 LEU HB3 . 19368 1 718 . 2 2 6 6 LEU HG H 1 1.304 . . 1 . 23 . . 62 LEU HG . 19368 1 719 . 2 2 7 7 VAL H H 1 8.375 . . 1 . 25 . . 63 VAL H . 19368 1 720 . 2 2 7 7 VAL HA H 1 3.556 . . 1 . 26 . . 63 VAL HA . 19368 1 721 . 2 2 7 7 VAL HB H 1 2.236 . . 1 . 27 . . 63 VAL HB . 19368 1 722 . 2 2 7 7 VAL HG11 H 1 0.922 . . 2 . 28 . . 63 VAL HG11 . 19368 1 723 . 2 2 7 7 VAL HG12 H 1 0.922 . . 2 . 28 . . 63 VAL HG12 . 19368 1 724 . 2 2 7 7 VAL HG13 H 1 0.922 . . 2 . 28 . . 63 VAL HG13 . 19368 1 725 . 2 2 7 7 VAL HG21 H 1 1.249 . . 2 . 29 . . 63 VAL HG21 . 19368 1 726 . 2 2 7 7 VAL HG22 H 1 1.249 . . 2 . 29 . . 63 VAL HG22 . 19368 1 727 . 2 2 7 7 VAL HG23 H 1 1.249 . . 2 . 29 . . 63 VAL HG23 . 19368 1 728 . 2 2 8 8 ALA H H 1 7.886 . . 1 . 30 . . 64 ALA H . 19368 1 729 . 2 2 8 8 ALA HA H 1 4.053 . . 1 . 31 . . 64 ALA HA . 19368 1 730 . 2 2 8 8 ALA HB1 H 1 1.502 . . 1 . 32 . . 64 ALA HB1 . 19368 1 731 . 2 2 8 8 ALA HB2 H 1 1.502 . . 1 . 32 . . 64 ALA HB2 . 19368 1 732 . 2 2 8 8 ALA HB3 H 1 1.502 . . 1 . 32 . . 64 ALA HB3 . 19368 1 733 . 2 2 9 9 GLU H H 1 7.981 . . 1 . 33 . . 65 GLU H . 19368 1 734 . 2 2 9 9 GLU HA H 1 4.026 . . 1 . 34 . . 65 GLU HA . 19368 1 735 . 2 2 10 10 PHE H H 1 8.347 . . 1 . 37 . . 66 PHE H . 19368 1 736 . 2 2 10 10 PHE HA H 1 3.595 . . 1 . 38 . . 66 PHE HA . 19368 1 737 . 2 2 11 11 LEU H H 1 8.287 . . 1 . 42 . . 67 LEU H . 19368 1 738 . 2 2 11 11 LEU HA H 1 3.883 . . 1 . 43 . . 67 LEU HA . 19368 1 739 . 2 2 11 11 LEU HB2 H 1 1.816 . . 2 . 44 . . 67 LEU HB2 . 19368 1 740 . 2 2 11 11 LEU HB3 H 1 2.029 . . 2 . 45 . . 67 LEU HB3 . 19368 1 741 . 2 2 11 11 LEU HG H 1 1.453 . . 1 . 46 . . 67 LEU HG . 19368 1 742 . 2 2 11 11 LEU HD11 H 1 0.745 . . 2 . 47 . . 67 LEU HD11 . 19368 1 743 . 2 2 11 11 LEU HD12 H 1 0.745 . . 2 . 47 . . 67 LEU HD12 . 19368 1 744 . 2 2 11 11 LEU HD13 H 1 0.745 . . 2 . 47 . . 67 LEU HD13 . 19368 1 745 . 2 2 11 11 LEU HD21 H 1 0.819 . . 2 . 48 . . 67 LEU HD21 . 19368 1 746 . 2 2 11 11 LEU HD22 H 1 0.819 . . 2 . 48 . . 67 LEU HD22 . 19368 1 747 . 2 2 11 11 LEU HD23 H 1 0.819 . . 2 . 48 . . 67 LEU HD23 . 19368 1 748 . 2 2 12 12 GLN H H 1 7.597 . . 1 . 49 . . 68 GLN H . 19368 1 749 . 2 2 12 12 GLN HA H 1 4.118 . . 1 . 50 . . 68 GLN HA . 19368 1 750 . 2 2 12 12 GLN HE21 H 1 6.861 . . 1 . 52 . . 68 GLN HE21 . 19368 1 751 . 2 2 12 12 GLN HE22 H 1 7.535 . . 1 . 53 . . 68 GLN HE22 . 19368 1 752 . 2 2 13 13 ASP H H 1 7.745 . . 1 . 55 . . 69 ASP H . 19368 1 753 . 2 2 13 13 ASP HA H 1 4.623 . . 1 . 56 . . 69 ASP HA . 19368 1 754 . 2 2 14 14 GLN H H 1 7.681 . . 1 . 58 . . 70 GLN H . 19368 1 755 . 2 2 14 14 GLN HA H 1 4.270 . . 1 . 59 . . 70 GLN HA . 19368 1 756 . 2 2 14 14 GLN HG2 H 1 2.077 . . 2 . 63 . . 70 GLN HG2 . 19368 1 757 . 2 2 14 14 GLN HG3 H 1 2.151 . . 2 . 64 . . 70 GLN HG3 . 19368 1 758 . 2 2 14 14 GLN HE21 H 1 6.510 . . 1 . 61 . . 70 GLN HE21 . 19368 1 759 . 2 2 14 14 GLN HE22 H 1 7.015 . . 1 . 62 . . 70 GLN HE22 . 19368 1 760 . 2 2 15 15 ASN H H 1 7.830 . . 1 . 65 . . 71 ASN H . 19368 1 761 . 2 2 15 15 ASN HA H 1 4.452 . . 1 . 66 . . 71 ASN HA . 19368 1 762 . 2 2 15 15 ASN HB2 H 1 2.638 . . 2 . 67 . . 71 ASN HB2 . 19368 1 763 . 2 2 15 15 ASN HB3 H 1 2.758 . . 2 . 68 . . 71 ASN HB3 . 19368 1 764 . 2 2 15 15 ASN HD21 H 1 6.788 . . 1 . 69 . . 71 ASN HD21 . 19368 1 765 . 2 2 15 15 ASN HD22 H 1 7.470 . . 1 . 70 . . 71 ASN HD22 . 19368 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 19368 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bxu/ebi/pex14_new_2.str.csh' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 Experiment_1 1 $sample_1 solution 19368 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.341 . . 1 . 71 . . 12 GLY CA . 19368 2 2 . 1 1 2 2 ALA HA H 1 4.364 . . 1 . 75 . . 13 ALA HA . 19368 2 3 . 1 1 2 2 ALA CA C 13 52.542 . . 1 . 73 . . 13 ALA CA . 19368 2 4 . 1 1 2 2 ALA CB C 13 19.414 . . 1 . 74 . . 13 ALA CB . 19368 2 5 . 1 1 3 3 MET H H 1 8.472 . . 1 . 79 . . 14 MET H . 19368 2 6 . 1 1 3 3 MET HA H 1 4.475 . . 1 . 80 . . 14 MET HA . 19368 2 7 . 1 1 3 3 MET HB2 H 1 2.019 . . 2 . 81 . . 14 MET HB2 . 19368 2 8 . 1 1 3 3 MET HB3 H 1 2.088 . . 2 . 82 . . 14 MET HB3 . 19368 2 9 . 1 1 3 3 MET HG2 H 1 2.580 . . 2 . 83 . . 14 MET HG2 . 19368 2 10 . 1 1 3 3 MET HG3 H 1 2.621 . . 2 . 84 . . 14 MET HG3 . 19368 2 11 . 1 1 3 3 MET CA C 13 55.324 . . 1 . 76 . . 14 MET CA . 19368 2 12 . 1 1 3 3 MET CB C 13 33.110 . . 1 . 77 . . 14 MET CB . 19368 2 13 . 1 1 3 3 MET CG C 13 31.963 . . 1 . 78 . . 14 MET CG . 19368 2 14 . 1 1 3 3 MET N N 15 120.012 . . 1 . 85 . . 14 MET N . 19368 2 15 . 1 1 4 4 ALA H H 1 8.407 . . 1 . 88 . . 15 ALA H . 19368 2 16 . 1 1 4 4 ALA CA C 13 52.376 . . 1 . 86 . . 15 ALA CA . 19368 2 17 . 1 1 4 4 ALA CB C 13 19.359 . . 1 . 87 . . 15 ALA CB . 19368 2 18 . 1 1 4 4 ALA N N 15 125.985 . . 1 . 89 . . 15 ALA N . 19368 2 19 . 1 1 5 5 THR H H 1 8.265 . . 1 . 93 . . 16 THR H . 19368 2 20 . 1 1 5 5 THR HA H 1 4.593 . . 1 . 94 . . 16 THR HA . 19368 2 21 . 1 1 5 5 THR HB H 1 4.170 . . 1 . 95 . . 16 THR HB . 19368 2 22 . 1 1 5 5 THR HG21 H 1 1.256 . . 1 . 96 . . 16 THR HG21 . 19368 2 23 . 1 1 5 5 THR HG22 H 1 1.256 . . 1 . 96 . . 16 THR HG22 . 19368 2 24 . 1 1 5 5 THR HG23 H 1 1.256 . . 1 . 96 . . 16 THR HG23 . 19368 2 25 . 1 1 5 5 THR CA C 13 59.744 . . 1 . 90 . . 16 THR CA . 19368 2 26 . 1 1 5 5 THR CB C 13 69.724 . . 1 . 91 . . 16 THR CB . 19368 2 27 . 1 1 5 5 THR N N 15 116.264 . . 1 . 97 . . 16 THR N . 19368 2 28 . 1 1 6 6 PRO HA H 1 4.441 . . 1 . 102 . . 17 PRO HA . 19368 2 29 . 1 1 6 6 PRO HB2 H 1 1.967 . . 2 . 103 . . 17 PRO HB2 . 19368 2 30 . 1 1 6 6 PRO HB3 H 1 2.350 . . 2 . 104 . . 17 PRO HB3 . 19368 2 31 . 1 1 6 6 PRO HD2 H 1 3.733 . . 2 . 105 . . 17 PRO HD2 . 19368 2 32 . 1 1 6 6 PRO HD3 H 1 3.886 . . 2 . 106 . . 17 PRO HD3 . 19368 2 33 . 1 1 6 6 PRO CA C 13 63.765 . . 1 . 98 . . 17 PRO CA . 19368 2 34 . 1 1 6 6 PRO CB C 13 32.036 . . 1 . 99 . . 17 PRO CB . 19368 2 35 . 1 1 6 6 PRO CG C 13 27.472 . . 1 . 101 . . 17 PRO CG . 19368 2 36 . 1 1 6 6 PRO CD C 13 51.089 . . 1 . 100 . . 17 PRO CD . 19368 2 37 . 1 1 7 7 GLY H H 1 8.665 . . 1 . 109 . . 18 GLY H . 19368 2 38 . 1 1 7 7 GLY HA2 H 1 3.993 . . 2 . 110 . . 18 GLY HA2 . 19368 2 39 . 1 1 7 7 GLY HA3 H 1 4.068 . . 2 . 111 . . 18 GLY HA3 . 19368 2 40 . 1 1 7 7 GLY CA C 13 45.385 . . 1 . 108 . . 18 GLY CA . 19368 2 41 . 1 1 7 7 GLY N N 15 110.651 . . 1 . 112 . . 18 GLY N . 19368 2 42 . 1 1 8 8 SER H H 1 8.188 . . 1 . 115 . . 19 SER H . 19368 2 43 . 1 1 8 8 SER HA H 1 4.468 . . 1 . 116 . . 19 SER HA . 19368 2 44 . 1 1 8 8 SER CA C 13 58.654 . . 1 . 113 . . 19 SER CA . 19368 2 45 . 1 1 8 8 SER CB C 13 63.951 . . 1 . 114 . . 19 SER CB . 19368 2 46 . 1 1 8 8 SER N N 15 115.627 . . 1 . 118 . . 19 SER N . 19368 2 47 . 1 1 9 9 GLU H H 1 8.707 . . 1 . 122 . . 20 GLU H . 19368 2 48 . 1 1 9 9 GLU HA H 1 4.308 . . 1 . 123 . . 20 GLU HA . 19368 2 49 . 1 1 9 9 GLU HB2 H 1 1.950 . . 2 . 124 . . 20 GLU HB2 . 19368 2 50 . 1 1 9 9 GLU HB3 H 1 2.068 . . 2 . 125 . . 20 GLU HB3 . 19368 2 51 . 1 1 9 9 GLU CA C 13 56.860 . . 1 . 119 . . 20 GLU CA . 19368 2 52 . 1 1 9 9 GLU CB C 13 30.060 . . 1 . 120 . . 20 GLU CB . 19368 2 53 . 1 1 9 9 GLU CG C 13 36.183 . . 1 . 121 . . 20 GLU CG . 19368 2 54 . 1 1 9 9 GLU N N 15 122.373 . . 1 . 127 . . 20 GLU N . 19368 2 55 . 1 1 10 10 ASN H H 1 8.412 . . 1 . 130 . . 21 ASN H . 19368 2 56 . 1 1 10 10 ASN HA H 1 4.733 . . 1 . 131 . . 21 ASN HA . 19368 2 57 . 1 1 10 10 ASN HB2 H 1 2.724 . . 2 . 132 . . 21 ASN HB2 . 19368 2 58 . 1 1 10 10 ASN HB3 H 1 2.819 . . 2 . 133 . . 21 ASN HB3 . 19368 2 59 . 1 1 10 10 ASN CA C 13 53.299 . . 1 . 128 . . 21 ASN CA . 19368 2 60 . 1 1 10 10 ASN CB C 13 39.038 . . 1 . 129 . . 21 ASN CB . 19368 2 61 . 1 1 10 10 ASN N N 15 119.635 . . 1 . 134 . . 21 ASN N . 19368 2 62 . 1 1 11 11 VAL H H 1 8.121 . . 1 . 139 . . 22 VAL H . 19368 2 63 . 1 1 11 11 VAL HA H 1 4.139 . . 1 . 140 . . 22 VAL HA . 19368 2 64 . 1 1 11 11 VAL HB H 1 2.071 . . 1 . 141 . . 22 VAL HB . 19368 2 65 . 1 1 11 11 VAL HG11 H 1 0.924 . . 2 . 142 . . 22 VAL HG11 . 19368 2 66 . 1 1 11 11 VAL HG12 H 1 0.924 . . 2 . 142 . . 22 VAL HG12 . 19368 2 67 . 1 1 11 11 VAL HG13 H 1 0.924 . . 2 . 142 . . 22 VAL HG13 . 19368 2 68 . 1 1 11 11 VAL HG21 H 1 0.926 . . 2 . 143 . . 22 VAL HG21 . 19368 2 69 . 1 1 11 11 VAL HG22 H 1 0.926 . . 2 . 143 . . 22 VAL HG22 . 19368 2 70 . 1 1 11 11 VAL HG23 H 1 0.926 . . 2 . 143 . . 22 VAL HG23 . 19368 2 71 . 1 1 11 11 VAL CA C 13 62.095 . . 1 . 135 . . 22 VAL CA . 19368 2 72 . 1 1 11 11 VAL CB C 13 32.722 . . 1 . 136 . . 22 VAL CB . 19368 2 73 . 1 1 11 11 VAL CG1 C 13 21.160 . . 2 . 137 . . 22 VAL CG1 . 19368 2 74 . 1 1 11 11 VAL CG2 C 13 20.681 . . 2 . 138 . . 22 VAL CG2 . 19368 2 75 . 1 1 11 11 VAL N N 15 120.913 . . 1 . 144 . . 22 VAL N . 19368 2 76 . 1 1 12 12 LEU H H 1 8.288 . . 1 . 150 . . 23 LEU H . 19368 2 77 . 1 1 12 12 LEU HA H 1 4.656 . . 1 . 151 . . 23 LEU HA . 19368 2 78 . 1 1 12 12 LEU HB2 H 1 1.570 . . 2 . 152 . . 23 LEU HB2 . 19368 2 79 . 1 1 12 12 LEU HB3 H 1 1.638 . . 2 . 153 . . 23 LEU HB3 . 19368 2 80 . 1 1 12 12 LEU HG H 1 1.728 . . 1 . 154 . . 23 LEU HG . 19368 2 81 . 1 1 12 12 LEU HD11 H 1 0.976 . . 2 . 155 . . 23 LEU HD11 . 19368 2 82 . 1 1 12 12 LEU HD12 H 1 0.976 . . 2 . 155 . . 23 LEU HD12 . 19368 2 83 . 1 1 12 12 LEU HD13 H 1 0.976 . . 2 . 155 . . 23 LEU HD13 . 19368 2 84 . 1 1 12 12 LEU HD21 H 1 0.937 . . 2 . 156 . . 23 LEU HD21 . 19368 2 85 . 1 1 12 12 LEU HD22 H 1 0.937 . . 2 . 156 . . 23 LEU HD22 . 19368 2 86 . 1 1 12 12 LEU HD23 H 1 0.937 . . 2 . 156 . . 23 LEU HD23 . 19368 2 87 . 1 1 12 12 LEU CA C 13 53.165 . . 1 . 145 . . 23 LEU CA . 19368 2 88 . 1 1 12 12 LEU CB C 13 41.475 . . 1 . 146 . . 23 LEU CB . 19368 2 89 . 1 1 12 12 LEU CG C 13 27.169 . . 1 . 149 . . 23 LEU CG . 19368 2 90 . 1 1 12 12 LEU CD1 C 13 25.221 . . 2 . 147 . . 23 LEU CD1 . 19368 2 91 . 1 1 12 12 LEU CD2 C 13 23.205 . . 2 . 148 . . 23 LEU CD2 . 19368 2 92 . 1 1 12 12 LEU N N 15 127.553 . . 1 . 157 . . 23 LEU N . 19368 2 93 . 1 1 13 13 PRO HA H 1 4.480 . . 1 . 162 . . 24 PRO HA . 19368 2 94 . 1 1 13 13 PRO HB2 H 1 1.854 . . 2 . 163 . . 24 PRO HB2 . 19368 2 95 . 1 1 13 13 PRO HB3 H 1 2.211 . . 2 . 164 . . 24 PRO HB3 . 19368 2 96 . 1 1 13 13 PRO HG2 H 1 1.954 . . 2 . 167 . . 24 PRO HG2 . 19368 2 97 . 1 1 13 13 PRO HG3 H 1 2.065 . . 2 . 168 . . 24 PRO HG3 . 19368 2 98 . 1 1 13 13 PRO HD2 H 1 3.639 . . 2 . 165 . . 24 PRO HD2 . 19368 2 99 . 1 1 13 13 PRO HD3 H 1 3.957 . . 2 . 166 . . 24 PRO HD3 . 19368 2 100 . 1 1 13 13 PRO CA C 13 63.229 . . 1 . 158 . . 24 PRO CA . 19368 2 101 . 1 1 13 13 PRO CB C 13 32.676 . . 1 . 159 . . 24 PRO CB . 19368 2 102 . 1 1 13 13 PRO CG C 13 27.626 . . 1 . 161 . . 24 PRO CG . 19368 2 103 . 1 1 13 13 PRO CD C 13 50.756 . . 1 . 160 . . 24 PRO CD . 19368 2 104 . 1 1 14 14 ARG H H 1 9.596 . . 1 . 173 . . 25 ARG H . 19368 2 105 . 1 1 14 14 ARG HA H 1 4.408 . . 1 . 174 . . 25 ARG HA . 19368 2 106 . 1 1 14 14 ARG HB2 H 1 1.857 . . 2 . 175 . . 25 ARG HB2 . 19368 2 107 . 1 1 14 14 ARG HB3 H 1 2.056 . . 2 . 176 . . 25 ARG HB3 . 19368 2 108 . 1 1 14 14 ARG HG2 H 1 1.811 . . 2 . 179 . . 25 ARG HG2 . 19368 2 109 . 1 1 14 14 ARG HG3 H 1 1.878 . . 2 . 180 . . 25 ARG HG3 . 19368 2 110 . 1 1 14 14 ARG HD2 H 1 3.087 . . 2 . 177 . . 25 ARG HD2 . 19368 2 111 . 1 1 14 14 ARG HD3 H 1 3.311 . . 2 . 178 . . 25 ARG HD3 . 19368 2 112 . 1 1 14 14 ARG CA C 13 55.216 . . 1 . 169 . . 25 ARG CA . 19368 2 113 . 1 1 14 14 ARG CB C 13 29.578 . . 1 . 170 . . 25 ARG CB . 19368 2 114 . 1 1 14 14 ARG CG C 13 25.494 . . 1 . 172 . . 25 ARG CG . 19368 2 115 . 1 1 14 14 ARG CD C 13 42.784 . . 1 . 171 . . 25 ARG CD . 19368 2 116 . 1 1 14 14 ARG N N 15 124.446 . . 1 . 181 . . 25 ARG N . 19368 2 117 . 1 1 15 15 GLU H H 1 8.833 . . 1 . 185 . . 26 GLU H . 19368 2 118 . 1 1 15 15 GLU HA H 1 4.095 . . 1 . 186 . . 26 GLU HA . 19368 2 119 . 1 1 15 15 GLU HG2 H 1 2.321 . . 2 . 188 . . 26 GLU HG2 . 19368 2 120 . 1 1 15 15 GLU HG3 H 1 2.416 . . 2 . 189 . . 26 GLU HG3 . 19368 2 121 . 1 1 15 15 GLU CA C 13 61.326 . . 1 . 182 . . 26 GLU CA . 19368 2 122 . 1 1 15 15 GLU CB C 13 27.149 . . 1 . 183 . . 26 GLU CB . 19368 2 123 . 1 1 15 15 GLU CG C 13 36.553 . . 1 . 184 . . 26 GLU CG . 19368 2 124 . 1 1 15 15 GLU N N 15 125.404 . . 1 . 190 . . 26 GLU N . 19368 2 125 . 1 1 16 16 PRO HA H 1 4.423 . . 1 . 195 . . 27 PRO HA . 19368 2 126 . 1 1 16 16 PRO HB2 H 1 1.851 . . 2 . 196 . . 27 PRO HB2 . 19368 2 127 . 1 1 16 16 PRO HB3 H 1 2.406 . . 2 . 197 . . 27 PRO HB3 . 19368 2 128 . 1 1 16 16 PRO HG2 H 1 2.016 . . 2 . 200 . . 27 PRO HG2 . 19368 2 129 . 1 1 16 16 PRO HG3 H 1 2.102 . . 2 . 201 . . 27 PRO HG3 . 19368 2 130 . 1 1 16 16 PRO HD2 H 1 3.576 . . 2 . 198 . . 27 PRO HD2 . 19368 2 131 . 1 1 16 16 PRO HD3 H 1 3.886 . . 2 . 199 . . 27 PRO HD3 . 19368 2 132 . 1 1 16 16 PRO CA C 13 65.908 . . 1 . 191 . . 27 PRO CA . 19368 2 133 . 1 1 16 16 PRO CB C 13 31.268 . . 1 . 192 . . 27 PRO CB . 19368 2 134 . 1 1 16 16 PRO CG C 13 28.477 . . 1 . 194 . . 27 PRO CG . 19368 2 135 . 1 1 16 16 PRO CD C 13 50.811 . . 1 . 193 . . 27 PRO CD . 19368 2 136 . 1 1 17 17 LEU H H 1 6.898 . . 1 . 207 . . 28 LEU H . 19368 2 137 . 1 1 17 17 LEU HA H 1 4.220 . . 1 . 208 . . 28 LEU HA . 19368 2 138 . 1 1 17 17 LEU HB2 H 1 1.643 . . 2 . 209 . . 28 LEU HB2 . 19368 2 139 . 1 1 17 17 LEU HB3 H 1 1.705 . . 2 . 210 . . 28 LEU HB3 . 19368 2 140 . 1 1 17 17 LEU HG H 1 1.549 . . 1 . 211 . . 28 LEU HG . 19368 2 141 . 1 1 17 17 LEU HD11 H 1 0.847 . . 2 . 212 . . 28 LEU HD11 . 19368 2 142 . 1 1 17 17 LEU HD12 H 1 0.847 . . 2 . 212 . . 28 LEU HD12 . 19368 2 143 . 1 1 17 17 LEU HD13 H 1 0.847 . . 2 . 212 . . 28 LEU HD13 . 19368 2 144 . 1 1 17 17 LEU HD21 H 1 0.892 . . 2 . 213 . . 28 LEU HD21 . 19368 2 145 . 1 1 17 17 LEU HD22 H 1 0.892 . . 2 . 213 . . 28 LEU HD22 . 19368 2 146 . 1 1 17 17 LEU HD23 H 1 0.892 . . 2 . 213 . . 28 LEU HD23 . 19368 2 147 . 1 1 17 17 LEU CA C 13 57.211 . . 1 . 202 . . 28 LEU CA . 19368 2 148 . 1 1 17 17 LEU CB C 13 41.860 . . 1 . 203 . . 28 LEU CB . 19368 2 149 . 1 1 17 17 LEU CG C 13 27.279 . . 1 . 206 . . 28 LEU CG . 19368 2 150 . 1 1 17 17 LEU CD1 C 13 24.105 . . 2 . 204 . . 28 LEU CD1 . 19368 2 151 . 1 1 17 17 LEU CD2 C 13 23.487 . . 2 . 205 . . 28 LEU CD2 . 19368 2 152 . 1 1 17 17 LEU N N 15 117.729 . . 1 . 214 . . 28 LEU N . 19368 2 153 . 1 1 18 18 ILE H H 1 7.862 . . 1 . 220 . . 29 ILE H . 19368 2 154 . 1 1 18 18 ILE HA H 1 3.393 . . 1 . 221 . . 29 ILE HA . 19368 2 155 . 1 1 18 18 ILE HB H 1 1.888 . . 1 . 222 . . 29 ILE HB . 19368 2 156 . 1 1 18 18 ILE HG12 H 1 1.079 . . 2 . 223 . . 29 ILE HG12 . 19368 2 157 . 1 1 18 18 ILE HG13 H 1 1.651 . . 2 . 224 . . 29 ILE HG13 . 19368 2 158 . 1 1 18 18 ILE HG21 H 1 0.794 . . 1 . 226 . . 29 ILE HG21 . 19368 2 159 . 1 1 18 18 ILE HG22 H 1 0.794 . . 1 . 226 . . 29 ILE HG22 . 19368 2 160 . 1 1 18 18 ILE HG23 H 1 0.794 . . 1 . 226 . . 29 ILE HG23 . 19368 2 161 . 1 1 18 18 ILE HD11 H 1 0.920 . . 1 . 225 . . 29 ILE HD11 . 19368 2 162 . 1 1 18 18 ILE HD12 H 1 0.920 . . 1 . 225 . . 29 ILE HD12 . 19368 2 163 . 1 1 18 18 ILE HD13 H 1 0.920 . . 1 . 225 . . 29 ILE HD13 . 19368 2 164 . 1 1 18 18 ILE CA C 13 65.722 . . 1 . 215 . . 29 ILE CA . 19368 2 165 . 1 1 18 18 ILE CB C 13 38.278 . . 1 . 216 . . 29 ILE CB . 19368 2 166 . 1 1 18 18 ILE CG1 C 13 28.836 . . 1 . 218 . . 29 ILE CG1 . 19368 2 167 . 1 1 18 18 ILE CG2 C 13 17.043 . . 1 . 219 . . 29 ILE CG2 . 19368 2 168 . 1 1 18 18 ILE CD1 C 13 14.927 . . 1 . 217 . . 29 ILE CD1 . 19368 2 169 . 1 1 18 18 ILE N N 15 120.087 . . 1 . 227 . . 29 ILE N . 19368 2 170 . 1 1 19 19 ALA H H 1 8.205 . . 1 . 230 . . 30 ALA H . 19368 2 171 . 1 1 19 19 ALA HA H 1 4.057 . . 1 . 231 . . 30 ALA HA . 19368 2 172 . 1 1 19 19 ALA HB1 H 1 1.500 . . 1 . 232 . . 30 ALA HB1 . 19368 2 173 . 1 1 19 19 ALA HB2 H 1 1.500 . . 1 . 232 . . 30 ALA HB2 . 19368 2 174 . 1 1 19 19 ALA HB3 H 1 1.500 . . 1 . 232 . . 30 ALA HB3 . 19368 2 175 . 1 1 19 19 ALA CA C 13 55.593 . . 1 . 228 . . 30 ALA CA . 19368 2 176 . 1 1 19 19 ALA CB C 13 17.922 . . 1 . 229 . . 30 ALA CB . 19368 2 177 . 1 1 19 19 ALA N N 15 120.362 . . 1 . 233 . . 30 ALA N . 19368 2 178 . 1 1 20 20 THR H H 1 7.747 . . 1 . 237 . . 31 THR H . 19368 2 179 . 1 1 20 20 THR HA H 1 3.957 . . 1 . 238 . . 31 THR HA . 19368 2 180 . 1 1 20 20 THR HB H 1 4.202 . . 1 . 239 . . 31 THR HB . 19368 2 181 . 1 1 20 20 THR HG21 H 1 1.244 . . 1 . 240 . . 31 THR HG21 . 19368 2 182 . 1 1 20 20 THR HG22 H 1 1.244 . . 1 . 240 . . 31 THR HG22 . 19368 2 183 . 1 1 20 20 THR HG23 H 1 1.244 . . 1 . 240 . . 31 THR HG23 . 19368 2 184 . 1 1 20 20 THR CA C 13 66.682 . . 1 . 234 . . 31 THR CA . 19368 2 185 . 1 1 20 20 THR CB C 13 68.773 . . 1 . 235 . . 31 THR CB . 19368 2 186 . 1 1 20 20 THR N N 15 115.052 . . 1 . 241 . . 31 THR N . 19368 2 187 . 1 1 21 21 ALA H H 1 8.224 . . 1 . 244 . . 32 ALA H . 19368 2 188 . 1 1 21 21 ALA HA H 1 3.942 . . 1 . 245 . . 32 ALA HA . 19368 2 189 . 1 1 21 21 ALA HB1 H 1 1.396 . . 1 . 246 . . 32 ALA HB1 . 19368 2 190 . 1 1 21 21 ALA HB2 H 1 1.396 . . 1 . 246 . . 32 ALA HB2 . 19368 2 191 . 1 1 21 21 ALA HB3 H 1 1.396 . . 1 . 246 . . 32 ALA HB3 . 19368 2 192 . 1 1 21 21 ALA CA C 13 55.396 . . 1 . 242 . . 32 ALA CA . 19368 2 193 . 1 1 21 21 ALA CB C 13 18.954 . . 1 . 243 . . 32 ALA CB . 19368 2 194 . 1 1 21 21 ALA N N 15 124.841 . . 1 . 247 . . 32 ALA N . 19368 2 195 . 1 1 22 22 VAL H H 1 8.802 . . 1 . 252 . . 33 VAL H . 19368 2 196 . 1 1 22 22 VAL HA H 1 3.318 . . 1 . 253 . . 33 VAL HA . 19368 2 197 . 1 1 22 22 VAL HB H 1 2.225 . . 1 . 254 . . 33 VAL HB . 19368 2 198 . 1 1 22 22 VAL HG11 H 1 0.699 . . 2 . 255 . . 33 VAL HG11 . 19368 2 199 . 1 1 22 22 VAL HG12 H 1 0.699 . . 2 . 255 . . 33 VAL HG12 . 19368 2 200 . 1 1 22 22 VAL HG13 H 1 0.699 . . 2 . 255 . . 33 VAL HG13 . 19368 2 201 . 1 1 22 22 VAL HG21 H 1 1.189 . . 2 . 256 . . 33 VAL HG21 . 19368 2 202 . 1 1 22 22 VAL HG22 H 1 1.189 . . 2 . 256 . . 33 VAL HG22 . 19368 2 203 . 1 1 22 22 VAL HG23 H 1 1.189 . . 2 . 256 . . 33 VAL HG23 . 19368 2 204 . 1 1 22 22 VAL CA C 13 67.656 . . 1 . 248 . . 33 VAL CA . 19368 2 205 . 1 1 22 22 VAL CB C 13 31.639 . . 1 . 249 . . 33 VAL CB . 19368 2 206 . 1 1 22 22 VAL CG1 C 13 21.033 . . 2 . 250 . . 33 VAL CG1 . 19368 2 207 . 1 1 22 22 VAL CG2 C 13 24.836 . . 2 . 251 . . 33 VAL CG2 . 19368 2 208 . 1 1 22 22 VAL N N 15 119.071 . . 1 . 257 . . 33 VAL N . 19368 2 209 . 1 1 23 23 LYS H H 1 7.046 . . 1 . 262 . . 34 LYS H . 19368 2 210 . 1 1 23 23 LYS CA C 13 59.225 . . 1 . 258 . . 34 LYS CA . 19368 2 211 . 1 1 23 23 LYS CB C 13 32.011 . . 1 . 259 . . 34 LYS CB . 19368 2 212 . 1 1 23 23 LYS CG C 13 25.378 . . 1 . 261 . . 34 LYS CG . 19368 2 213 . 1 1 23 23 LYS CE C 13 42.125 . . 1 . 260 . . 34 LYS CE . 19368 2 214 . 1 1 23 23 LYS N N 15 116.567 . . 1 . 266 . . 34 LYS N . 19368 2 215 . 1 1 24 24 PHE H H 1 8.095 . . 1 . 269 . . 35 PHE H . 19368 2 216 . 1 1 24 24 PHE HA H 1 4.029 . . 1 . 270 . . 35 PHE HA . 19368 2 217 . 1 1 24 24 PHE HB2 H 1 3.126 . . 2 . 271 . . 35 PHE HB2 . 19368 2 218 . 1 1 24 24 PHE HB3 H 1 3.430 . . 2 . 272 . . 35 PHE HB3 . 19368 2 219 . 1 1 24 24 PHE CA C 13 61.207 . . 1 . 267 . . 35 PHE CA . 19368 2 220 . 1 1 24 24 PHE CB C 13 39.177 . . 1 . 268 . . 35 PHE CB . 19368 2 221 . 1 1 24 24 PHE N N 15 121.302 . . 1 . 273 . . 35 PHE N . 19368 2 222 . 1 1 25 25 LEU H H 1 8.290 . . 1 . 279 . . 36 LEU H . 19368 2 223 . 1 1 25 25 LEU HA H 1 3.442 . . 1 . 280 . . 36 LEU HA . 19368 2 224 . 1 1 25 25 LEU HB2 H 1 1.237 . . 2 . 281 . . 36 LEU HB2 . 19368 2 225 . 1 1 25 25 LEU HB3 H 1 1.812 . . 2 . 282 . . 36 LEU HB3 . 19368 2 226 . 1 1 25 25 LEU HG H 1 2.012 . . 1 . 283 . . 36 LEU HG . 19368 2 227 . 1 1 25 25 LEU HD11 H 1 0.166 . . 2 . 284 . . 36 LEU HD11 . 19368 2 228 . 1 1 25 25 LEU HD12 H 1 0.166 . . 2 . 284 . . 36 LEU HD12 . 19368 2 229 . 1 1 25 25 LEU HD13 H 1 0.166 . . 2 . 284 . . 36 LEU HD13 . 19368 2 230 . 1 1 25 25 LEU HD21 H 1 0.580 . . 2 . 285 . . 36 LEU HD21 . 19368 2 231 . 1 1 25 25 LEU HD22 H 1 0.580 . . 2 . 285 . . 36 LEU HD22 . 19368 2 232 . 1 1 25 25 LEU HD23 H 1 0.580 . . 2 . 285 . . 36 LEU HD23 . 19368 2 233 . 1 1 25 25 LEU CA C 13 56.141 . . 1 . 274 . . 36 LEU CA . 19368 2 234 . 1 1 25 25 LEU CB C 13 41.406 . . 1 . 275 . . 36 LEU CB . 19368 2 235 . 1 1 25 25 LEU CG C 13 26.744 . . 1 . 278 . . 36 LEU CG . 19368 2 236 . 1 1 25 25 LEU CD1 C 13 25.373 . . 2 . 276 . . 36 LEU CD1 . 19368 2 237 . 1 1 25 25 LEU CD2 C 13 22.217 . . 2 . 277 . . 36 LEU CD2 . 19368 2 238 . 1 1 25 25 LEU N N 15 116.851 . . 1 . 286 . . 36 LEU N . 19368 2 239 . 1 1 26 26 GLN H H 1 7.393 . . 1 . 290 . . 37 GLN H . 19368 2 240 . 1 1 26 26 GLN HA H 1 4.020 . . 1 . 291 . . 37 GLN HA . 19368 2 241 . 1 1 26 26 GLN HG2 H 1 2.269 . . 2 . 293 . . 37 GLN HG2 . 19368 2 242 . 1 1 26 26 GLN HG3 H 1 2.765 . . 2 . 294 . . 37 GLN HG3 . 19368 2 243 . 1 1 26 26 GLN CA C 13 56.007 . . 1 . 287 . . 37 GLN CA . 19368 2 244 . 1 1 26 26 GLN CB C 13 29.170 . . 1 . 288 . . 37 GLN CB . 19368 2 245 . 1 1 26 26 GLN CG C 13 34.916 . . 1 . 289 . . 37 GLN CG . 19368 2 246 . 1 1 26 26 GLN N N 15 113.001 . . 1 . 295 . . 37 GLN N . 19368 2 247 . 1 1 27 27 ASN H H 1 7.352 . . 1 . 298 . . 38 ASN H . 19368 2 248 . 1 1 27 27 ASN HA H 1 4.380 . . 1 . 299 . . 38 ASN HA . 19368 2 249 . 1 1 27 27 ASN HB2 H 1 2.664 . . 2 . 300 . . 38 ASN HB2 . 19368 2 250 . 1 1 27 27 ASN HB3 H 1 2.784 . . 2 . 301 . . 38 ASN HB3 . 19368 2 251 . 1 1 27 27 ASN CA C 13 55.131 . . 1 . 296 . . 38 ASN CA . 19368 2 252 . 1 1 27 27 ASN CB C 13 40.024 . . 1 . 297 . . 38 ASN CB . 19368 2 253 . 1 1 27 27 ASN N N 15 121.897 . . 1 . 302 . . 38 ASN N . 19368 2 254 . 1 1 28 28 SER H H 1 9.049 . . 1 . 304 . . 39 SER H . 19368 2 255 . 1 1 28 28 SER HA H 1 3.907 . . 1 . 305 . . 39 SER HA . 19368 2 256 . 1 1 28 28 SER CA C 13 62.898 . . 1 . 303 . . 39 SER CA . 19368 2 257 . 1 1 28 28 SER N N 15 122.227 . . 1 . 306 . . 39 SER N . 19368 2 258 . 1 1 29 29 ARG H H 1 7.978 . . 1 . 311 . . 40 ARG H . 19368 2 259 . 1 1 29 29 ARG HA H 1 4.228 . . 1 . 312 . . 40 ARG HA . 19368 2 260 . 1 1 29 29 ARG HG2 H 1 1.653 . . 2 . 316 . . 40 ARG HG2 . 19368 2 261 . 1 1 29 29 ARG HG3 H 1 1.778 . . 2 . 317 . . 40 ARG HG3 . 19368 2 262 . 1 1 29 29 ARG HD2 H 1 3.170 . . 2 . 314 . . 40 ARG HD2 . 19368 2 263 . 1 1 29 29 ARG HD3 H 1 3.248 . . 2 . 315 . . 40 ARG HD3 . 19368 2 264 . 1 1 29 29 ARG CA C 13 58.376 . . 1 . 307 . . 40 ARG CA . 19368 2 265 . 1 1 29 29 ARG CB C 13 30.025 . . 1 . 308 . . 40 ARG CB . 19368 2 266 . 1 1 29 29 ARG CG C 13 27.607 . . 1 . 310 . . 40 ARG CG . 19368 2 267 . 1 1 29 29 ARG CD C 13 43.065 . . 1 . 309 . . 40 ARG CD . 19368 2 268 . 1 1 29 29 ARG N N 15 120.158 . . 1 . 318 . . 40 ARG N . 19368 2 269 . 1 1 30 30 VAL H H 1 8.042 . . 1 . 323 . . 41 VAL H . 19368 2 270 . 1 1 30 30 VAL HA H 1 3.410 . . 1 . 324 . . 41 VAL HA . 19368 2 271 . 1 1 30 30 VAL HB H 1 1.969 . . 1 . 325 . . 41 VAL HB . 19368 2 272 . 1 1 30 30 VAL HG11 H 1 -0.242 . . 2 . 326 . . 41 VAL HG11 . 19368 2 273 . 1 1 30 30 VAL HG12 H 1 -0.242 . . 2 . 326 . . 41 VAL HG12 . 19368 2 274 . 1 1 30 30 VAL HG13 H 1 -0.242 . . 2 . 326 . . 41 VAL HG13 . 19368 2 275 . 1 1 30 30 VAL HG21 H 1 0.473 . . 2 . 327 . . 41 VAL HG21 . 19368 2 276 . 1 1 30 30 VAL HG22 H 1 0.473 . . 2 . 327 . . 41 VAL HG22 . 19368 2 277 . 1 1 30 30 VAL HG23 H 1 0.473 . . 2 . 327 . . 41 VAL HG23 . 19368 2 278 . 1 1 30 30 VAL CA C 13 66.318 . . 1 . 319 . . 41 VAL CA . 19368 2 279 . 1 1 30 30 VAL CB C 13 31.567 . . 1 . 320 . . 41 VAL CB . 19368 2 280 . 1 1 30 30 VAL CG1 C 13 20.632 . . 2 . 321 . . 41 VAL CG1 . 19368 2 281 . 1 1 30 30 VAL CG2 C 13 23.112 . . 2 . 322 . . 41 VAL CG2 . 19368 2 282 . 1 1 30 30 VAL N N 15 123.580 . . 1 . 328 . . 41 VAL N . 19368 2 283 . 1 1 31 31 ARG H H 1 7.879 . . 1 . 333 . . 42 ARG H . 19368 2 284 . 1 1 31 31 ARG HA H 1 3.847 . . 1 . 334 . . 42 ARG HA . 19368 2 285 . 1 1 31 31 ARG HB2 H 1 1.739 . . 2 . 335 . . 42 ARG HB2 . 19368 2 286 . 1 1 31 31 ARG HB3 H 1 2.003 . . 2 . 336 . . 42 ARG HB3 . 19368 2 287 . 1 1 31 31 ARG HG2 H 1 1.634 . . 2 . 339 . . 42 ARG HG2 . 19368 2 288 . 1 1 31 31 ARG HG3 H 1 1.812 . . 2 . 340 . . 42 ARG HG3 . 19368 2 289 . 1 1 31 31 ARG HD2 H 1 3.001 . . 2 . 337 . . 42 ARG HD2 . 19368 2 290 . 1 1 31 31 ARG HD3 H 1 3.119 . . 2 . 338 . . 42 ARG HD3 . 19368 2 291 . 1 1 31 31 ARG CA C 13 58.702 . . 1 . 329 . . 42 ARG CA . 19368 2 292 . 1 1 31 31 ARG CB C 13 30.598 . . 1 . 330 . . 42 ARG CB . 19368 2 293 . 1 1 31 31 ARG CG C 13 27.866 . . 1 . 332 . . 42 ARG CG . 19368 2 294 . 1 1 31 31 ARG CD C 13 44.320 . . 1 . 331 . . 42 ARG CD . 19368 2 295 . 1 1 31 31 ARG N N 15 116.237 . . 1 . 341 . . 42 ARG N . 19368 2 296 . 1 1 32 32 GLN H H 1 7.197 . . 1 . 345 . . 43 GLN H . 19368 2 297 . 1 1 32 32 GLN HA H 1 4.322 . . 1 . 346 . . 43 GLN HA . 19368 2 298 . 1 1 32 32 GLN HG2 H 1 2.424 . . 2 . 348 . . 43 GLN HG2 . 19368 2 299 . 1 1 32 32 GLN HG3 H 1 2.622 . . 2 . 349 . . 43 GLN HG3 . 19368 2 300 . 1 1 32 32 GLN CA C 13 56.009 . . 1 . 342 . . 43 GLN CA . 19368 2 301 . 1 1 32 32 GLN CB C 13 28.861 . . 1 . 343 . . 43 GLN CB . 19368 2 302 . 1 1 32 32 GLN CG C 13 34.177 . . 1 . 344 . . 43 GLN CG . 19368 2 303 . 1 1 32 32 GLN N N 15 114.805 . . 1 . 350 . . 43 GLN N . 19368 2 304 . 1 1 33 33 SER H H 1 7.812 . . 1 . 353 . . 44 SER H . 19368 2 305 . 1 1 33 33 SER HA H 1 4.900 . . 1 . 354 . . 44 SER HA . 19368 2 306 . 1 1 33 33 SER HB2 H 1 4.094 . . 2 . 355 . . 44 SER HB2 . 19368 2 307 . 1 1 33 33 SER HB3 H 1 4.125 . . 2 . 356 . . 44 SER HB3 . 19368 2 308 . 1 1 33 33 SER CA C 13 57.953 . . 1 . 351 . . 44 SER CA . 19368 2 309 . 1 1 33 33 SER CB C 13 63.529 . . 1 . 352 . . 44 SER CB . 19368 2 310 . 1 1 33 33 SER N N 15 116.974 . . 1 . 357 . . 44 SER N . 19368 2 311 . 1 1 34 34 PRO HA H 1 4.556 . . 1 . 362 . . 45 PRO HA . 19368 2 312 . 1 1 34 34 PRO CA C 13 63.614 . . 1 . 358 . . 45 PRO CA . 19368 2 313 . 1 1 34 34 PRO CB C 13 32.203 . . 1 . 359 . . 45 PRO CB . 19368 2 314 . 1 1 34 34 PRO CG C 13 28.081 . . 1 . 361 . . 45 PRO CG . 19368 2 315 . 1 1 34 34 PRO CD C 13 50.870 . . 1 . 360 . . 45 PRO CD . 19368 2 316 . 1 1 35 35 LEU H H 1 9.242 . . 1 . 369 . . 46 LEU H . 19368 2 317 . 1 1 35 35 LEU HA H 1 3.903 . . 1 . 370 . . 46 LEU HA . 19368 2 318 . 1 1 35 35 LEU HG H 1 1.566 . . 1 . 372 . . 46 LEU HG . 19368 2 319 . 1 1 35 35 LEU CA C 13 59.419 . . 1 . 365 . . 46 LEU CA . 19368 2 320 . 1 1 35 35 LEU CB C 13 42.250 . . 1 . 366 . . 46 LEU CB . 19368 2 321 . 1 1 35 35 LEU CG C 13 27.238 . . 1 . 368 . . 46 LEU CG . 19368 2 322 . 1 1 35 35 LEU N N 15 129.342 . . 1 . 374 . . 46 LEU N . 19368 2 323 . 1 1 36 36 ALA H H 1 9.232 . . 1 . 377 . . 47 ALA H . 19368 2 324 . 1 1 36 36 ALA HB1 H 1 1.519 . . 1 . 378 . . 47 ALA HB1 . 19368 2 325 . 1 1 36 36 ALA HB2 H 1 1.519 . . 1 . 378 . . 47 ALA HB2 . 19368 2 326 . 1 1 36 36 ALA HB3 H 1 1.519 . . 1 . 378 . . 47 ALA HB3 . 19368 2 327 . 1 1 36 36 ALA CA C 13 55.444 . . 1 . 375 . . 47 ALA CA . 19368 2 328 . 1 1 36 36 ALA CB C 13 18.400 . . 1 . 376 . . 47 ALA CB . 19368 2 329 . 1 1 36 36 ALA N N 15 118.489 . . 1 . 379 . . 47 ALA N . 19368 2 330 . 1 1 37 37 THR H H 1 7.449 . . 1 . 383 . . 48 THR H . 19368 2 331 . 1 1 37 37 THR HA H 1 4.306 . . 1 . 384 . . 48 THR HA . 19368 2 332 . 1 1 37 37 THR HB H 1 4.509 . . 1 . 385 . . 48 THR HB . 19368 2 333 . 1 1 37 37 THR HG21 H 1 1.501 . . 1 . 386 . . 48 THR HG21 . 19368 2 334 . 1 1 37 37 THR HG22 H 1 1.501 . . 1 . 386 . . 48 THR HG22 . 19368 2 335 . 1 1 37 37 THR HG23 H 1 1.501 . . 1 . 386 . . 48 THR HG23 . 19368 2 336 . 1 1 37 37 THR CA C 13 65.746 . . 1 . 380 . . 48 THR CA . 19368 2 337 . 1 1 37 37 THR CB C 13 68.802 . . 1 . 381 . . 48 THR CB . 19368 2 338 . 1 1 37 37 THR N N 15 113.690 . . 1 . 387 . . 48 THR N . 19368 2 339 . 1 1 38 38 ARG H H 1 7.862 . . 1 . 392 . . 49 ARG H . 19368 2 340 . 1 1 38 38 ARG HA H 1 4.051 . . 1 . 393 . . 49 ARG HA . 19368 2 341 . 1 1 38 38 ARG HB2 H 1 1.717 . . 2 . 394 . . 49 ARG HB2 . 19368 2 342 . 1 1 38 38 ARG HB3 H 1 2.435 . . 2 . 395 . . 49 ARG HB3 . 19368 2 343 . 1 1 38 38 ARG HD2 H 1 2.764 . . 2 . 396 . . 49 ARG HD2 . 19368 2 344 . 1 1 38 38 ARG HD3 H 1 3.249 . . 2 . 397 . . 49 ARG HD3 . 19368 2 345 . 1 1 38 38 ARG CA C 13 60.908 . . 1 . 388 . . 49 ARG CA . 19368 2 346 . 1 1 38 38 ARG CB C 13 32.685 . . 1 . 389 . . 49 ARG CB . 19368 2 347 . 1 1 38 38 ARG CG C 13 28.577 . . 1 . 391 . . 49 ARG CG . 19368 2 348 . 1 1 38 38 ARG CD C 13 44.384 . . 1 . 390 . . 49 ARG CD . 19368 2 349 . 1 1 38 38 ARG N N 15 123.102 . . 1 . 399 . . 49 ARG N . 19368 2 350 . 1 1 39 39 ARG H H 1 8.460 . . 1 . 404 . . 50 ARG H . 19368 2 351 . 1 1 39 39 ARG HA H 1 3.969 . . 1 . 405 . . 50 ARG HA . 19368 2 352 . 1 1 39 39 ARG HG2 H 1 1.544 . . 2 . 409 . . 50 ARG HG2 . 19368 2 353 . 1 1 39 39 ARG HG3 H 1 1.733 . . 2 . 410 . . 50 ARG HG3 . 19368 2 354 . 1 1 39 39 ARG HD2 H 1 3.098 . . 2 . 407 . . 50 ARG HD2 . 19368 2 355 . 1 1 39 39 ARG HD3 H 1 3.241 . . 2 . 408 . . 50 ARG HD3 . 19368 2 356 . 1 1 39 39 ARG CA C 13 60.887 . . 1 . 400 . . 50 ARG CA . 19368 2 357 . 1 1 39 39 ARG CB C 13 30.581 . . 1 . 401 . . 50 ARG CB . 19368 2 358 . 1 1 39 39 ARG CG C 13 28.953 . . 1 . 403 . . 50 ARG CG . 19368 2 359 . 1 1 39 39 ARG CD C 13 42.774 . . 1 . 402 . . 50 ARG CD . 19368 2 360 . 1 1 39 39 ARG N N 15 116.847 . . 1 . 411 . . 50 ARG N . 19368 2 361 . 1 1 40 40 ALA H H 1 8.209 . . 1 . 414 . . 51 ALA H . 19368 2 362 . 1 1 40 40 ALA HA H 1 4.152 . . 1 . 415 . . 51 ALA HA . 19368 2 363 . 1 1 40 40 ALA HB1 H 1 1.651 . . 1 . 416 . . 51 ALA HB1 . 19368 2 364 . 1 1 40 40 ALA HB2 H 1 1.651 . . 1 . 416 . . 51 ALA HB2 . 19368 2 365 . 1 1 40 40 ALA HB3 H 1 1.651 . . 1 . 416 . . 51 ALA HB3 . 19368 2 366 . 1 1 40 40 ALA CA C 13 55.198 . . 1 . 412 . . 51 ALA CA . 19368 2 367 . 1 1 40 40 ALA CB C 13 18.244 . . 1 . 413 . . 51 ALA CB . 19368 2 368 . 1 1 40 40 ALA N N 15 119.201 . . 1 . 417 . . 51 ALA N . 19368 2 369 . 1 1 41 41 PHE H H 1 8.098 . . 1 . 420 . . 52 PHE H . 19368 2 370 . 1 1 41 41 PHE HA H 1 4.460 . . 1 . 421 . . 52 PHE HA . 19368 2 371 . 1 1 41 41 PHE HB2 H 1 3.152 . . 2 . 422 . . 52 PHE HB2 . 19368 2 372 . 1 1 41 41 PHE HB3 H 1 3.763 . . 2 . 423 . . 52 PHE HB3 . 19368 2 373 . 1 1 41 41 PHE CA C 13 61.527 . . 1 . 418 . . 52 PHE CA . 19368 2 374 . 1 1 41 41 PHE CB C 13 39.962 . . 1 . 419 . . 52 PHE CB . 19368 2 375 . 1 1 41 41 PHE N N 15 119.265 . . 1 . 424 . . 52 PHE N . 19368 2 376 . 1 1 42 42 LEU H H 1 7.555 . . 1 . 429 . . 53 LEU H . 19368 2 377 . 1 1 42 42 LEU HA H 1 3.683 . . 1 . 430 . . 53 LEU HA . 19368 2 378 . 1 1 42 42 LEU HB2 H 1 1.272 . . 2 . 431 . . 53 LEU HB2 . 19368 2 379 . 1 1 42 42 LEU HB3 H 1 2.017 . . 2 . 432 . . 53 LEU HB3 . 19368 2 380 . 1 1 42 42 LEU HG H 1 1.318 . . 1 . 433 . . 53 LEU HG . 19368 2 381 . 1 1 42 42 LEU CA C 13 57.655 . . 1 . 425 . . 53 LEU CA . 19368 2 382 . 1 1 42 42 LEU CB C 13 41.293 . . 1 . 426 . . 53 LEU CB . 19368 2 383 . 1 1 42 42 LEU CG C 13 26.653 . . 1 . 428 . . 53 LEU CG . 19368 2 384 . 1 1 42 42 LEU N N 15 117.210 . . 1 . 435 . . 53 LEU N . 19368 2 385 . 1 1 43 43 LYS H H 1 8.204 . . 1 . 441 . . 54 LYS H . 19368 2 386 . 1 1 43 43 LYS HA H 1 4.303 . . 1 . 442 . . 54 LYS HA . 19368 2 387 . 1 1 43 43 LYS HB2 H 1 1.823 . . 2 . 443 . . 54 LYS HB2 . 19368 2 388 . 1 1 43 43 LYS HB3 H 1 1.911 . . 2 . 444 . . 54 LYS HB3 . 19368 2 389 . 1 1 43 43 LYS HG2 H 1 1.427 . . 2 . 448 . . 54 LYS HG2 . 19368 2 390 . 1 1 43 43 LYS HG3 H 1 1.551 . . 2 . 449 . . 54 LYS HG3 . 19368 2 391 . 1 1 43 43 LYS HD2 H 1 1.657 . . 2 . 445 . . 54 LYS HD2 . 19368 2 392 . 1 1 43 43 LYS HD3 H 1 1.784 . . 2 . 446 . . 54 LYS HD3 . 19368 2 393 . 1 1 43 43 LYS CA C 13 58.656 . . 1 . 436 . . 54 LYS CA . 19368 2 394 . 1 1 43 43 LYS CB C 13 31.254 . . 1 . 437 . . 54 LYS CB . 19368 2 395 . 1 1 43 43 LYS CG C 13 24.164 . . 1 . 440 . . 54 LYS CG . 19368 2 396 . 1 1 43 43 LYS CD C 13 28.233 . . 1 . 438 . . 54 LYS CD . 19368 2 397 . 1 1 43 43 LYS CE C 13 41.662 . . 1 . 439 . . 54 LYS CE . 19368 2 398 . 1 1 43 43 LYS N N 15 120.021 . . 1 . 450 . . 54 LYS N . 19368 2 399 . 1 1 44 44 LYS H H 1 8.018 . . 1 . 456 . . 55 LYS H . 19368 2 400 . 1 1 44 44 LYS HA H 1 4.028 . . 1 . 457 . . 55 LYS HA . 19368 2 401 . 1 1 44 44 LYS HG2 H 1 1.351 . . 2 . 461 . . 55 LYS HG2 . 19368 2 402 . 1 1 44 44 LYS HG3 H 1 1.535 . . 2 . 462 . . 55 LYS HG3 . 19368 2 403 . 1 1 44 44 LYS HD2 H 1 1.685 . . 2 . 458 . . 55 LYS HD2 . 19368 2 404 . 1 1 44 44 LYS HD3 H 1 1.753 . . 2 . 459 . . 55 LYS HD3 . 19368 2 405 . 1 1 44 44 LYS CA C 13 59.275 . . 1 . 451 . . 55 LYS CA . 19368 2 406 . 1 1 44 44 LYS CB C 13 31.694 . . 1 . 452 . . 55 LYS CB . 19368 2 407 . 1 1 44 44 LYS CG C 13 25.141 . . 1 . 455 . . 55 LYS CG . 19368 2 408 . 1 1 44 44 LYS CD C 13 29.817 . . 1 . 453 . . 55 LYS CD . 19368 2 409 . 1 1 44 44 LYS CE C 13 42.076 . . 1 . 454 . . 55 LYS CE . 19368 2 410 . 1 1 44 44 LYS N N 15 123.731 . . 1 . 463 . . 55 LYS N . 19368 2 411 . 1 1 45 45 LYS H H 1 7.383 . . 1 . 469 . . 56 LYS H . 19368 2 412 . 1 1 45 45 LYS HA H 1 4.059 . . 1 . 470 . . 56 LYS HA . 19368 2 413 . 1 1 45 45 LYS HB2 H 1 1.544 . . 2 . 471 . . 56 LYS HB2 . 19368 2 414 . 1 1 45 45 LYS HB3 H 1 1.766 . . 2 . 472 . . 56 LYS HB3 . 19368 2 415 . 1 1 45 45 LYS HG2 H 1 0.513 . . 2 . 477 . . 56 LYS HG2 . 19368 2 416 . 1 1 45 45 LYS HG3 H 1 0.733 . . 2 . 478 . . 56 LYS HG3 . 19368 2 417 . 1 1 45 45 LYS HD2 H 1 1.199 . . 2 . 473 . . 56 LYS HD2 . 19368 2 418 . 1 1 45 45 LYS HD3 H 1 1.305 . . 2 . 474 . . 56 LYS HD3 . 19368 2 419 . 1 1 45 45 LYS HE2 H 1 2.359 . . 2 . 475 . . 56 LYS HE2 . 19368 2 420 . 1 1 45 45 LYS HE3 H 1 2.681 . . 2 . 476 . . 56 LYS HE3 . 19368 2 421 . 1 1 45 45 LYS CA C 13 53.852 . . 1 . 464 . . 56 LYS CA . 19368 2 422 . 1 1 45 45 LYS CB C 13 29.293 . . 1 . 465 . . 56 LYS CB . 19368 2 423 . 1 1 45 45 LYS CG C 13 22.369 . . 1 . 468 . . 56 LYS CG . 19368 2 424 . 1 1 45 45 LYS CD C 13 26.050 . . 1 . 466 . . 56 LYS CD . 19368 2 425 . 1 1 45 45 LYS CE C 13 41.453 . . 1 . 467 . . 56 LYS CE . 19368 2 426 . 1 1 45 45 LYS N N 15 115.496 . . 1 . 479 . . 56 LYS N . 19368 2 427 . 1 1 46 46 GLY HA2 H 1 3.667 . . 2 . 481 . . 57 GLY HA2 . 19368 2 428 . 1 1 46 46 GLY HA3 H 1 4.285 . . 2 . 482 . . 57 GLY HA3 . 19368 2 429 . 1 1 46 46 GLY CA C 13 45.335 . . 1 . 480 . . 57 GLY CA . 19368 2 430 . 1 1 46 46 GLY N N 15 105.555 . . 1 . 483 . . 57 GLY N . 19368 2 431 . 1 1 47 47 LEU HG H 1 1.650 . . 1 . 489 . . 58 LEU HG . 19368 2 432 . 1 1 47 47 LEU HD11 H 1 0.647 . . 2 . 490 . . 58 LEU HD11 . 19368 2 433 . 1 1 47 47 LEU HD12 H 1 0.647 . . 2 . 490 . . 58 LEU HD12 . 19368 2 434 . 1 1 47 47 LEU HD13 H 1 0.647 . . 2 . 490 . . 58 LEU HD13 . 19368 2 435 . 1 1 47 47 LEU HD21 H 1 0.755 . . 2 . 491 . . 58 LEU HD21 . 19368 2 436 . 1 1 47 47 LEU HD22 H 1 0.755 . . 2 . 491 . . 58 LEU HD22 . 19368 2 437 . 1 1 47 47 LEU HD23 H 1 0.755 . . 2 . 491 . . 58 LEU HD23 . 19368 2 438 . 1 1 47 47 LEU CA C 13 57.479 . . 1 . 484 . . 58 LEU CA . 19368 2 439 . 1 1 47 47 LEU CB C 13 42.304 . . 1 . 485 . . 58 LEU CB . 19368 2 440 . 1 1 47 47 LEU CG C 13 31.401 . . 1 . 488 . . 58 LEU CG . 19368 2 441 . 1 1 47 47 LEU CD1 C 13 26.263 . . 2 . 486 . . 58 LEU CD1 . 19368 2 442 . 1 1 47 47 LEU CD2 C 13 24.297 . . 2 . 487 . . 58 LEU CD2 . 19368 2 443 . 1 1 47 47 LEU N N 15 122.950 . . 1 . 492 . . 58 LEU N . 19368 2 444 . 1 1 48 48 THR HB H 1 4.733 . . 1 . 10 . . 59 THR HB . 19368 2 445 . 1 1 48 48 THR HG21 H 1 1.274 . . 1 . 496 . . 59 THR HG21 . 19368 2 446 . 1 1 48 48 THR HG22 H 1 1.274 . . 1 . 496 . . 59 THR HG22 . 19368 2 447 . 1 1 48 48 THR HG23 H 1 1.274 . . 1 . 496 . . 59 THR HG23 . 19368 2 448 . 1 1 48 48 THR CA C 13 60.292 . . 1 . 493 . . 59 THR CA . 19368 2 449 . 1 1 48 48 THR CB C 13 70.884 . . 1 . 494 . . 59 THR CB . 19368 2 450 . 1 1 48 48 THR N N 15 112.790 . . 1 . 497 . . 59 THR N . 19368 2 451 . 1 1 49 49 ASP HB2 H 1 2.520 . . 1 . 500 . . 60 ASP HB2 . 19368 2 452 . 1 1 49 49 ASP CA C 13 58.772 . . 1 . 498 . . 60 ASP CA . 19368 2 453 . 1 1 49 49 ASP CB C 13 40.224 . . 1 . 499 . . 60 ASP CB . 19368 2 454 . 1 1 49 49 ASP N N 15 120.317 . . 1 . 501 . . 60 ASP N . 19368 2 455 . 1 1 50 50 GLU HB2 H 1 1.893 . . 2 . 505 . . 61 GLU HB2 . 19368 2 456 . 1 1 50 50 GLU HB3 H 1 2.059 . . 2 . 506 . . 61 GLU HB3 . 19368 2 457 . 1 1 50 50 GLU CA C 13 59.942 . . 1 . 502 . . 61 GLU CA . 19368 2 458 . 1 1 50 50 GLU CB C 13 29.644 . . 1 . 503 . . 61 GLU CB . 19368 2 459 . 1 1 50 50 GLU CG C 13 36.672 . . 1 . 504 . . 61 GLU CG . 19368 2 460 . 1 1 50 50 GLU N N 15 118.753 . . 1 . 507 . . 61 GLU N . 19368 2 461 . 1 1 51 51 GLU HG2 H 1 2.176 . . 2 . 511 . . 62 GLU HG2 . 19368 2 462 . 1 1 51 51 GLU HG3 H 1 2.462 . . 2 . 512 . . 62 GLU HG3 . 19368 2 463 . 1 1 51 51 GLU CA C 13 59.256 . . 1 . 508 . . 62 GLU CA . 19368 2 464 . 1 1 51 51 GLU CB C 13 29.923 . . 1 . 509 . . 62 GLU CB . 19368 2 465 . 1 1 51 51 GLU CG C 13 37.744 . . 1 . 510 . . 62 GLU CG . 19368 2 466 . 1 1 51 51 GLU N N 15 119.943 . . 1 . 513 . . 62 GLU N . 19368 2 467 . 1 1 52 52 ILE HG12 H 1 0.569 . . 2 . 519 . . 63 ILE HG12 . 19368 2 468 . 1 1 52 52 ILE HG13 H 1 1.933 . . 2 . 520 . . 63 ILE HG13 . 19368 2 469 . 1 1 52 52 ILE HD11 H 1 0.708 . . 1 . 521 . . 63 ILE HD11 . 19368 2 470 . 1 1 52 52 ILE HD12 H 1 0.708 . . 1 . 521 . . 63 ILE HD12 . 19368 2 471 . 1 1 52 52 ILE HD13 H 1 0.708 . . 1 . 521 . . 63 ILE HD13 . 19368 2 472 . 1 1 52 52 ILE CA C 13 66.400 . . 1 . 514 . . 63 ILE CA . 19368 2 473 . 1 1 52 52 ILE CB C 13 38.373 . . 1 . 515 . . 63 ILE CB . 19368 2 474 . 1 1 52 52 ILE CG1 C 13 30.922 . . 1 . 517 . . 63 ILE CG1 . 19368 2 475 . 1 1 52 52 ILE CG2 C 13 18.506 . . 1 . 518 . . 63 ILE CG2 . 19368 2 476 . 1 1 52 52 ILE CD1 C 13 14.407 . . 1 . 516 . . 63 ILE CD1 . 19368 2 477 . 1 1 52 52 ILE N N 15 119.973 . . 1 . 522 . . 63 ILE N . 19368 2 478 . 1 1 53 53 ASP HB2 H 1 2.698 . . 2 . 525 . . 64 ASP HB2 . 19368 2 479 . 1 1 53 53 ASP HB3 H 1 2.847 . . 2 . 526 . . 64 ASP HB3 . 19368 2 480 . 1 1 53 53 ASP CA C 13 58.199 . . 1 . 523 . . 64 ASP CA . 19368 2 481 . 1 1 53 53 ASP CB C 13 39.901 . . 1 . 524 . . 64 ASP CB . 19368 2 482 . 1 1 53 53 ASP N N 15 120.819 . . 1 . 527 . . 64 ASP N . 19368 2 483 . 1 1 54 54 MET CA C 13 59.418 . . 1 . 528 . . 65 MET CA . 19368 2 484 . 1 1 54 54 MET CB C 13 32.828 . . 1 . 529 . . 65 MET CB . 19368 2 485 . 1 1 54 54 MET N N 15 120.055 . . 1 . 530 . . 65 MET N . 19368 2 486 . 1 1 55 55 ALA HB1 H 1 1.318 . . 1 . 39 . . 66 ALA HB1 . 19368 2 487 . 1 1 55 55 ALA HB2 H 1 1.318 . . 1 . 39 . . 66 ALA HB2 . 19368 2 488 . 1 1 55 55 ALA HB3 H 1 1.318 . . 1 . 39 . . 66 ALA HB3 . 19368 2 489 . 1 1 55 55 ALA CA C 13 54.549 . . 1 . 531 . . 66 ALA CA . 19368 2 490 . 1 1 55 55 ALA CB C 13 17.990 . . 1 . 532 . . 66 ALA CB . 19368 2 491 . 1 1 55 55 ALA N N 15 122.648 . . 1 . 533 . . 66 ALA N . 19368 2 492 . 1 1 56 56 PHE CA C 13 62.497 . . 1 . 534 . . 67 PHE CA . 19368 2 493 . 1 1 56 56 PHE CB C 13 38.231 . . 1 . 535 . . 67 PHE CB . 19368 2 494 . 1 1 56 56 PHE N N 15 119.756 . . 1 . 536 . . 67 PHE N . 19368 2 495 . 1 1 57 57 GLN HG2 H 1 2.462 . . 2 . 540 . . 68 GLN HG2 . 19368 2 496 . 1 1 57 57 GLN HG3 H 1 2.554 . . 2 . 541 . . 68 GLN HG3 . 19368 2 497 . 1 1 57 57 GLN CA C 13 59.544 . . 1 . 537 . . 68 GLN CA . 19368 2 498 . 1 1 57 57 GLN CB C 13 28.391 . . 1 . 538 . . 68 GLN CB . 19368 2 499 . 1 1 57 57 GLN CG C 13 33.639 . . 1 . 539 . . 68 GLN CG . 19368 2 500 . 1 1 57 57 GLN N N 15 120.555 . . 1 . 542 . . 68 GLN N . 19368 2 501 . 1 1 58 58 GLN HG2 H 1 2.401 . . 2 . 546 . . 69 GLN HG2 . 19368 2 502 . 1 1 58 58 GLN HG3 H 1 2.639 . . 2 . 547 . . 69 GLN HG3 . 19368 2 503 . 1 1 58 58 GLN CA C 13 58.284 . . 1 . 543 . . 69 GLN CA . 19368 2 504 . 1 1 58 58 GLN CB C 13 29.278 . . 1 . 544 . . 69 GLN CB . 19368 2 505 . 1 1 58 58 GLN CG C 13 34.595 . . 1 . 545 . . 69 GLN CG . 19368 2 506 . 1 1 58 58 GLN N N 15 117.927 . . 1 . 548 . . 69 GLN N . 19368 2 507 . 1 1 59 59 SER HB2 H 1 3.906 . . 2 . 551 . . 70 SER HB2 . 19368 2 508 . 1 1 59 59 SER HB3 H 1 4.152 . . 2 . 552 . . 70 SER HB3 . 19368 2 509 . 1 1 59 59 SER CA C 13 59.549 . . 1 . 549 . . 70 SER CA . 19368 2 510 . 1 1 59 59 SER CB C 13 64.818 . . 1 . 550 . . 70 SER CB . 19368 2 511 . 1 1 59 59 SER N N 15 110.847 . . 1 . 553 . . 70 SER N . 19368 2 512 . 1 1 60 60 GLY HA2 H 1 4.106 . . 2 . 555 . . 71 GLY HA2 . 19368 2 513 . 1 1 60 60 GLY HA3 H 1 4.127 . . 2 . 556 . . 71 GLY HA3 . 19368 2 514 . 1 1 60 60 GLY CA C 13 46.562 . . 1 . 554 . . 71 GLY CA . 19368 2 515 . 1 1 60 60 GLY N N 15 110.584 . . 1 . 557 . . 71 GLY N . 19368 2 516 . 1 1 61 61 THR H H 1 7.927 . . 1 . 561 . . 72 THR H . 19368 2 517 . 1 1 61 61 THR HA H 1 4.375 . . 1 . 562 . . 72 THR HA . 19368 2 518 . 1 1 61 61 THR HB H 1 4.262 . . 1 . 563 . . 72 THR HB . 19368 2 519 . 1 1 61 61 THR HG21 H 1 0.965 . . 1 . 564 . . 72 THR HG21 . 19368 2 520 . 1 1 61 61 THR HG22 H 1 0.965 . . 1 . 564 . . 72 THR HG22 . 19368 2 521 . 1 1 61 61 THR HG23 H 1 0.965 . . 1 . 564 . . 72 THR HG23 . 19368 2 522 . 1 1 61 61 THR CA C 13 62.276 . . 1 . 558 . . 72 THR CA . 19368 2 523 . 1 1 61 61 THR CB C 13 69.800 . . 1 . 559 . . 72 THR CB . 19368 2 524 . 1 1 61 61 THR N N 15 111.244 . . 1 . 565 . . 72 THR N . 19368 2 525 . 1 1 62 62 ALA H H 1 8.308 . . 1 . 568 . . 73 ALA H . 19368 2 526 . 1 1 62 62 ALA HA H 1 4.230 . . 1 . 569 . . 73 ALA HA . 19368 2 527 . 1 1 62 62 ALA HB1 H 1 1.359 . . 1 . 570 . . 73 ALA HB1 . 19368 2 528 . 1 1 62 62 ALA HB2 H 1 1.359 . . 1 . 570 . . 73 ALA HB2 . 19368 2 529 . 1 1 62 62 ALA HB3 H 1 1.359 . . 1 . 570 . . 73 ALA HB3 . 19368 2 530 . 1 1 62 62 ALA CA C 13 53.124 . . 1 . 566 . . 73 ALA CA . 19368 2 531 . 1 1 62 62 ALA CB C 13 19.242 . . 1 . 567 . . 73 ALA CB . 19368 2 532 . 1 1 62 62 ALA N N 15 126.006 . . 1 . 571 . . 73 ALA N . 19368 2 533 . 1 1 63 63 ALA H H 1 8.095 . . 1 . 574 . . 74 ALA H . 19368 2 534 . 1 1 63 63 ALA CA C 13 52.221 . . 1 . 572 . . 74 ALA CA . 19368 2 535 . 1 1 63 63 ALA CB C 13 19.253 . . 1 . 573 . . 74 ALA CB . 19368 2 536 . 1 1 63 63 ALA N N 15 121.326 . . 1 . 575 . . 74 ALA N . 19368 2 537 . 1 1 64 64 ASP H H 1 8.039 . . 1 . 578 . . 75 ASP H . 19368 2 538 . 1 1 64 64 ASP HA H 1 4.576 . . 1 . 579 . . 75 ASP HA . 19368 2 539 . 1 1 64 64 ASP HB2 H 1 2.622 . . 2 . 580 . . 75 ASP HB2 . 19368 2 540 . 1 1 64 64 ASP HB3 H 1 2.708 . . 2 . 581 . . 75 ASP HB3 . 19368 2 541 . 1 1 64 64 ASP CA C 13 54.403 . . 1 . 576 . . 75 ASP CA . 19368 2 542 . 1 1 64 64 ASP CB C 13 41.273 . . 1 . 577 . . 75 ASP CB . 19368 2 543 . 1 1 64 64 ASP N N 15 119.168 . . 1 . 582 . . 75 ASP N . 19368 2 544 . 1 1 65 65 GLU H H 1 8.168 . . 1 . 586 . . 76 GLU H . 19368 2 545 . 1 1 65 65 GLU HA H 1 4.639 . . 1 . 587 . . 76 GLU HA . 19368 2 546 . 1 1 65 65 GLU HB2 H 1 1.914 . . 2 . 588 . . 76 GLU HB2 . 19368 2 547 . 1 1 65 65 GLU HB3 H 1 2.061 . . 2 . 589 . . 76 GLU HB3 . 19368 2 548 . 1 1 65 65 GLU CA C 13 54.238 . . 1 . 583 . . 76 GLU CA . 19368 2 549 . 1 1 65 65 GLU CB C 13 30.063 . . 1 . 584 . . 76 GLU CB . 19368 2 550 . 1 1 65 65 GLU CG C 13 35.931 . . 1 . 585 . . 76 GLU CG . 19368 2 551 . 1 1 65 65 GLU N N 15 121.765 . . 1 . 591 . . 76 GLU N . 19368 2 552 . 1 1 66 66 PRO HA H 1 4.424 . . 1 . 596 . . 77 PRO HA . 19368 2 553 . 1 1 66 66 PRO HB2 H 1 1.944 . . 2 . 597 . . 77 PRO HB2 . 19368 2 554 . 1 1 66 66 PRO HB3 H 1 2.313 . . 2 . 598 . . 77 PRO HB3 . 19368 2 555 . 1 1 66 66 PRO CA C 13 63.474 . . 1 . 592 . . 77 PRO CA . 19368 2 556 . 1 1 66 66 PRO CB C 13 32.103 . . 1 . 593 . . 77 PRO CB . 19368 2 557 . 1 1 66 66 PRO CG C 13 27.380 . . 1 . 595 . . 77 PRO CG . 19368 2 558 . 1 1 66 66 PRO CD C 13 50.722 . . 1 . 594 . . 77 PRO CD . 19368 2 559 . 1 1 67 67 SER H H 1 8.331 . . 1 . 603 . . 78 SER H . 19368 2 560 . 1 1 67 67 SER HA H 1 4.274 . . 1 . 604 . . 78 SER HA . 19368 2 561 . 1 1 67 67 SER CA C 13 58.468 . . 1 . 601 . . 78 SER CA . 19368 2 562 . 1 1 67 67 SER CB C 13 63.797 . . 1 . 602 . . 78 SER CB . 19368 2 563 . 1 1 67 67 SER N N 15 115.526 . . 1 . 606 . . 78 SER N . 19368 2 564 . 1 1 68 68 SER H H 1 8.234 . . 1 . 609 . . 79 SER H . 19368 2 565 . 1 1 68 68 SER HA H 1 4.403 . . 1 . 610 . . 79 SER HA . 19368 2 566 . 1 1 68 68 SER CA C 13 58.375 . . 1 . 607 . . 79 SER CA . 19368 2 567 . 1 1 68 68 SER CB C 13 63.780 . . 1 . 608 . . 79 SER CB . 19368 2 568 . 1 1 68 68 SER N N 15 117.616 . . 1 . 612 . . 79 SER N . 19368 2 569 . 1 1 69 69 LEU H H 1 8.031 . . 1 . 618 . . 80 LEU H . 19368 2 570 . 1 1 69 69 LEU HA H 1 4.267 . . 1 . 619 . . 80 LEU HA . 19368 2 571 . 1 1 69 69 LEU HG H 1 1.487 . . 1 . 621 . . 80 LEU HG . 19368 2 572 . 1 1 69 69 LEU HD11 H 1 0.846 . . 2 . 622 . . 80 LEU HD11 . 19368 2 573 . 1 1 69 69 LEU HD12 H 1 0.846 . . 2 . 622 . . 80 LEU HD12 . 19368 2 574 . 1 1 69 69 LEU HD13 H 1 0.846 . . 2 . 622 . . 80 LEU HD13 . 19368 2 575 . 1 1 69 69 LEU HD21 H 1 0.781 . . 2 . 623 . . 80 LEU HD21 . 19368 2 576 . 1 1 69 69 LEU HD22 H 1 0.781 . . 2 . 623 . . 80 LEU HD22 . 19368 2 577 . 1 1 69 69 LEU HD23 H 1 0.781 . . 2 . 623 . . 80 LEU HD23 . 19368 2 578 . 1 1 69 69 LEU CA C 13 55.325 . . 1 . 613 . . 80 LEU CA . 19368 2 579 . 1 1 69 69 LEU CB C 13 42.355 . . 1 . 614 . . 80 LEU CB . 19368 2 580 . 1 1 69 69 LEU CG C 13 26.849 . . 1 . 617 . . 80 LEU CG . 19368 2 581 . 1 1 69 69 LEU CD1 C 13 25.003 . . 2 . 615 . . 80 LEU CD1 . 19368 2 582 . 1 1 69 69 LEU CD2 C 13 23.203 . . 2 . 616 . . 80 LEU CD2 . 19368 2 583 . 1 1 69 69 LEU N N 15 123.677 . . 1 . 624 . . 80 LEU N . 19368 2 584 . 2 2 1 1 ALA H H 1 7.651 . . 1 . 1 . . 57 ALA H . 19368 2 585 . 2 2 2 2 SER H H 1 7.618 . . 1 . 4 . . 58 SER H . 19368 2 586 . 2 2 2 2 SER HA H 1 4.438 . . 1 . 5 . . 58 SER HA . 19368 2 587 . 2 2 2 2 SER HB2 H 1 1.187 . . 2 . 6 . . 58 SER HB2 . 19368 2 588 . 2 2 2 2 SER HB3 H 1 1.853 . . 2 . 7 . . 58 SER HB3 . 19368 2 589 . 2 2 3 3 GLU H H 1 9.207 . . 1 . 8 . . 59 GLU H . 19368 2 590 . 2 2 3 3 GLU HA H 1 4.340 . . 1 . 9 . . 59 GLU HA . 19368 2 591 . 2 2 4 4 ASP H H 1 8.911 . . 1 . 12 . . 60 ASP H . 19368 2 592 . 2 2 4 4 ASP HA H 1 4.239 . . 1 . 13 . . 60 ASP HA . 19368 2 593 . 2 2 5 5 GLU H H 1 8.430 . . 1 . 15 . . 61 GLU H . 19368 2 594 . 2 2 5 5 GLU HA H 1 4.111 . . 1 . 16 . . 61 GLU HA . 19368 2 595 . 2 2 6 6 LEU H H 1 7.833 . . 1 . 19 . . 62 LEU H . 19368 2 596 . 2 2 6 6 LEU HA H 1 3.845 . . 1 . 20 . . 62 LEU HA . 19368 2 597 . 2 2 6 6 LEU HB2 H 1 1.661 . . 2 . 21 . . 62 LEU HB2 . 19368 2 598 . 2 2 6 6 LEU HB3 H 1 2.513 . . 2 . 22 . . 62 LEU HB3 . 19368 2 599 . 2 2 7 7 VAL H H 1 8.585 . . 1 . 25 . . 63 VAL H . 19368 2 600 . 2 2 7 7 VAL HA H 1 3.322 . . 1 . 26 . . 63 VAL HA . 19368 2 601 . 2 2 7 7 VAL HB H 1 1.905 . . 1 . 27 . . 63 VAL HB . 19368 2 602 . 2 2 7 7 VAL HG21 H 1 0.875 . . 1 . 29 . . 63 VAL HG21 . 19368 2 603 . 2 2 7 7 VAL HG22 H 1 0.875 . . 1 . 29 . . 63 VAL HG22 . 19368 2 604 . 2 2 7 7 VAL HG23 H 1 0.875 . . 1 . 29 . . 63 VAL HG23 . 19368 2 605 . 2 2 8 8 ALA H H 1 8.550 . . 1 . 30 . . 64 ALA H . 19368 2 606 . 2 2 8 8 ALA HA H 1 4.450 . . 1 . 31 . . 64 ALA HA . 19368 2 607 . 2 2 9 9 GLU H H 1 8.139 . . 1 . 33 . . 65 GLU H . 19368 2 608 . 2 2 9 9 GLU HA H 1 4.153 . . 1 . 34 . . 65 GLU HA . 19368 2 609 . 2 2 10 10 PHE H H 1 8.599 . . 1 . 37 . . 66 PHE H . 19368 2 610 . 2 2 10 10 PHE HA H 1 3.938 . . 1 . 38 . . 66 PHE HA . 19368 2 611 . 2 2 11 11 LEU H H 1 9.210 . . 1 . 42 . . 67 LEU H . 19368 2 612 . 2 2 11 11 LEU HA H 1 3.976 . . 1 . 43 . . 67 LEU HA . 19368 2 613 . 2 2 11 11 LEU HB2 H 1 3.051 . . 2 . 44 . . 67 LEU HB2 . 19368 2 614 . 2 2 11 11 LEU HB3 H 1 3.333 . . 2 . 45 . . 67 LEU HB3 . 19368 2 615 . 2 2 12 12 GLN H H 1 8.348 . . 1 . 49 . . 68 GLN H . 19368 2 616 . 2 2 12 12 GLN HA H 1 4.115 . . 1 . 50 . . 68 GLN HA . 19368 2 617 . 2 2 13 13 ASP H H 1 8.701 . . 1 . 55 . . 69 ASP H . 19368 2 618 . 2 2 13 13 ASP HA H 1 4.120 . . 1 . 56 . . 69 ASP HA . 19368 2 619 . 2 2 14 14 GLN H H 1 8.106 . . 1 . 58 . . 70 GLN H . 19368 2 620 . 2 2 14 14 GLN HA H 1 4.301 . . 1 . 59 . . 70 GLN HA . 19368 2 621 . 2 2 15 15 ASN H H 1 7.683 . . 1 . 65 . . 71 ASN H . 19368 2 stop_ save_